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155184-82-0 | Benzoic acid, 6-amino-2-chloro-3-methyl-
CAS No: 155184-82-0 Catalog No: AG001NOT MDL No:MFCD12913679
Product Description
Catalog Number:
AG001NOT
Chemical Name:
Benzoic acid, 6-amino-2-chloro-3-methyl-
CAS Number:
155184-82-0
Molecular Formula:
C8H8ClNO2
Molecular Weight:
185.6076
MDL Number:
MFCD12913679
IUPAC Name:
6-amino-2-chloro-3-methylbenzoic acid
InChI:
InChI=1S/C8H8ClNO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChI Key:
LXMMULQDXBPFGB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(N)ccc(c1Cl)C
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:
2.3
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