Home Halogens 4-chloro-3-nitrobenzoic acid

4-chloro-3-nitrobenzoic acid

CAS No.:
96-99-1
Catalog Number:
AG003L56
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
98%(HPLC)
In Stock USA
United States
$160
- +
Product Description
Catalog Number:
AG003L56
Chemical Name:
4-chloro-3-nitrobenzoic acid
CAS Number:
96-99-1
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD00007079
IUPAC Name:
4-chloro-3-nitrobenzoic acid
InChI:
InChI=1S/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11)
InChI Key:
DFXQXFGFOLXAPO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)C(=O)O
EC Number:
202-550-9
UNII:
0MLZ915Q9K
NSC Number:
8440
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.983g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.562g/mol
Monoisotopic Mass:
200.983g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Elastic and bendable caffeine cocrystals: implications for the design of flexible organic materials. Angewandte Chemie (International ed. in English) 20121008
Hydrogen-bonded structures of the isomeric compounds of phthalazine with 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 4-chloro-3-nitrobenzoic acid. Acta crystallographica. Section C, Crystal structure communications 20111101
(4-Chloro-3-nitro-benzoato)triphenyl-tin(IV). Acta crystallographica. Section E, Structure reports online 20110901
2,2,6,6-Tetra-methyl-4-oxopiperidin-1-ium 4-chloro-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20110801
Finding of the low molecular weight inhibitors of resuscitation promoting factor enzymatic and resuscitation activity. PloS one 20090101
4-Chloro-3-nitro-benzamide. Acta crystallographica. Section E, Structure reports online 20090101
Ethyl 4-chloro-3-nitro-benzoate. Acta crystallographica. Section E, Structure reports online 20080201
Preparation and antibacterial activity of copper and cobalt complexes of 4-chloro-3-nitrobenzoate with a nitrogen donor ligand. Chemical & pharmaceutical bulletin 20070301
A three-dimensional framework of pi-stacked hydrogen-bonded chains in benzyl 4-chloro-3-nitrobenzoate, and chains of hydrogen-bonded rings in benzyl 4-nitrobenzoate, redetermined at 120 K. Acta crystallographica. Section C, Crystal structure communications 20060501
Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate. Acta crystallographica. Section C, Crystal structure communications 20011201
Properties