Home Nitros 2-Chloro-4-methyl-5-nitro-benzoic acid

2-Chloro-4-methyl-5-nitro-benzoic acid

CAS No.:
101580-96-5
Catalog Number:
AG0096ZN
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
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Product Description
Catalog Number:
AG0096ZN
Chemical Name:
2-Chloro-4-methyl-5-nitro-benzoic acid
CAS Number:
101580-96-5
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD27940870
IUPAC Name:
2-chloro-4-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6ClNO4/c1-4-2-6(9)5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
QVOBSRFDFRRCNC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(cc1C)Cl
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  
Properties