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138825-97-5 | Benzoic acid, 2-(acetylamino)-3-chloro-, methyl ester
CAS No: 138825-97-5 Catalog No: AG0019MX MDL No:
Product Description
Catalog Number:
AG0019MX
Chemical Name:
Benzoic acid, 2-(acetylamino)-3-chloro-, methyl ester
CAS Number:
138825-97-5
Molecular Formula:
C10H10ClNO3
Molecular Weight:
227.6443
IUPAC Name:
methyl 2-acetamido-3-chlorobenzoate
InChI:
InChI=1S/C10H10ClNO3/c1-6(13)12-9-7(10(14)15-2)4-3-5-8(9)11/h3-5H,1-2H3,(H,12,13)
InChI Key:
LTDYZRZKAOZWKM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1NC(=O)C)Cl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.644g/mol
Monoisotopic Mass:
227.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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