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157069-52-8 | Benzoic acid, 4-amino-3-chloro-5-methyl-
CAS No: 157069-52-8 Catalog No: AG001P6K MDL No:MFCD01313709
Product Description
Catalog Number:
AG001P6K
Chemical Name:
Benzoic acid, 4-amino-3-chloro-5-methyl-
CAS Number:
157069-52-8
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD01313709
IUPAC Name:
4-amino-3-chloro-5-methylbenzoic acid
InChI:
InChI=1S/C8H8ClNO2/c1-4-2-5(8(11)12)3-6(9)7(4)10/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
QDVXQZIEVDLRRT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(c(c1)Cl)N
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.607g/mol
Monoisotopic Mass:
185.024g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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