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Home Nitros 4-Chloro-2-nitrobenzoic acid

4-Chloro-2-nitrobenzoic acid

CAS No.:
6280-88-2
Catalog Number:
AG003L3Z
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
96%
In Stock USA
United States
$13
- +
25g
96%
In Stock USA
United States
$19
- +
100g
96%
In Stock USA
United States
$50
- +
500g
96%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003L3Z
Chemical Name:
4-Chloro-2-nitrobenzoic acid
CAS Number:
6280-88-2
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD00007214
IUPAC Name:
4-chloro-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4ClNO4/c8-4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)
InChI Key:
JAHIPDTWWVYVRV-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])C(=O)O
EC Number:
228-483-5
NSC Number:
6158
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:
2.1  
Literature
Title Journal
Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise. BMC microbiology 20120101
4-Chloro-2-nitro-benzoic acid-pyrazine (2/1). Acta crystallographica. Section E, Structure reports online 20111201
Hydrogen-bonded structures of the isomeric compounds of quinoline with 2-chloro-5-nitrobenzoic acid, 3-chloro-2-nitrobenzoic acid, 4-chloro-2-nitrobenzoic acid and 5-chloro-2-nitrobenzoic acid. Acta crystallographica. Section C, Crystal structure communications 20091001
Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine. Acta crystallographica. Section C, Crystal structure communications 20020401
Properties