Home Halogens 4-chloro-2-methyl-6-nitrobenzoic acid

4-chloro-2-methyl-6-nitrobenzoic acid

CAS No.:
1461705-14-5
Catalog Number:
AG01ABO4
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
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Product Description
Catalog Number:
AG01ABO4
Chemical Name:
4-chloro-2-methyl-6-nitrobenzoic acid
CAS Number:
1461705-14-5
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD26407661
IUPAC Name:
4-chloro-2-methyl-6-nitrobenzoic acid
InChI:
InChI=1S/C8H6ClNO4/c1-4-2-5(9)3-6(10(13)14)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
XUPVOPCJDHFNAW-UHFFFAOYSA-N
SMILES:
Clc1cc(C)c(c(c1)[N+](=O)[O-])C(=O)O
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