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1227268-71-4 | Benzoic acid, 3-chloro-2-methyl-5-nitro-
CAS No: 1227268-71-4 Catalog No: AG000J3L MDL No:
Product Description
Catalog Number:
AG000J3L
Chemical Name:
Benzoic acid, 3-chloro-2-methyl-5-nitro-
CAS Number:
1227268-71-4
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
IUPAC Name:
3-chloro-2-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6ClNO4/c1-4-6(8(11)12)2-5(10(13)14)3-7(4)9/h2-3H,1H3,(H,11,12)
InChI Key:
SSIJDUSQILUHCN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c(c(c1)C(=O)O)C
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.589g/mol
Monoisotopic Mass:
214.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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