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2516-95-2 | Benzoic acid, 5-chloro-2-nitro-
CAS No: 2516-95-2 Catalog No: AG002QP3 MDL No:MFCD00007290
Product Description
Catalog Number:
AG002QP3
Chemical Name:
Benzoic acid, 5-chloro-2-nitro-
CAS Number:
2516-95-2
Molecular Formula:
C7H4ClNO4
Molecular Weight:
201.5640
MDL Number:
MFCD00007290
IUPAC Name:
5-chloro-2-nitrobenzoic acid
InChI:
InChI=1S/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)
InChI Key:
ZKUYSJHXBFFGPU-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)[N+](=O)[O-]
EC Number:
219-738-1
NSC Number:
59735
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 |
| Methyl 5-chloro-2-nitro-benzoate. | 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 |
| catena-Poly[[bis-(5-chloro-2-nitro-benzoato)copper(II)]-bis-(μ-5-chloro-2-nitro-benzoato)]. | Acta crystallographica. Section E, Structure reports online 20090201 |
| Two-component molecular crystals composed of chloronitrobenzoic acids and 4-aminopyridine. | Acta crystallographica. Section C, Crystal structure communications 20020401 |
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