Home Nitros 2-Chloro-4-nitrobenzoic acid

2-Chloro-4-nitrobenzoic acid

CAS No.:
99-60-5
Catalog Number:
AG003GXQ
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG003GXQ
Chemical Name:
2-Chloro-4-nitrobenzoic acid
CAS Number:
99-60-5
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD00007209
IUPAC Name:
2-chloro-4-nitrobenzoic acid
InChI:
InChI=1S/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChI Key:
QAYNSPOKTRVZRC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)[N+](=O)[O-]
EC Number:
202-771-0
NSC Number:
150
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  
Literature
Title Journal
3-Bromo-pyridin-2-amine. Acta crystallographica. Section E, Structure reports online 20120201
Chemotaxis of Burkholderia sp. strain SJ98 towards chloronitroaromatic compounds that it can metabolise. BMC microbiology 20120101
Metabolism of 2-chloro-4-nitrophenol in a gram negative bacterium, Burkholderia sp. RKJ 800. PloS one 20120101
4-Chloro-2-nitro-benzoic acid-pyrazine (2/1). Acta crystallographica. Section E, Structure reports online 20111201
2-Chloro-4-nitro-benzoic acid-quinoline (1/1). Acta crystallographica. Section E, Structure reports online 20111101
(4-Chloro-3-nitro-benzoato)triphenyl-tin(IV). Acta crystallographica. Section E, Structure reports online 20110901
(2-Chloro-4-nitro-benzoato)(methanol)triphenyl-tin(IV). Acta crystallographica. Section E, Structure reports online 20110501
Photoswitching of site-selective RNA scission by sequential incorporation of azobenzene and acridine residues in a DNA oligomer. Journal of nucleic acids 20110101
Synthesis, characterization, and molecular modeling of a pharmaceutical co-crystal: (2-chloro-4-nitrobenzoic acid):(nicotinamide). Journal of pharmaceutical sciences 20100901
Tetra-kis(μ-2-chloro-4-nitro-benzoato-κO:O')bis-[aqua-copper(II)]. Acta crystallographica. Section E, Structure reports online 20090101
Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine. Acta crystallographica. Section C, Crystal structure communications 20020401
Morpholinium 2-chloro-4-nitrobenzoate, 2-chloro-5-nitrobenzoate and 4-chloro-3-nitrobenzoate. Acta crystallographica. Section C, Crystal structure communications 20011201
Properties