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160313-42-8 | Benzoic acid, 4-[(3-chloro-1-oxopropyl)amino]-, methyl ester
CAS No: 160313-42-8 Catalog No: AG001RTV MDL No:MFCD00454308
Product Description
Catalog Number:
AG001RTV
Chemical Name:
Benzoic acid, 4-[(3-chloro-1-oxopropyl)amino]-, methyl ester
CAS Number:
160313-42-8
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
MDL Number:
MFCD00454308
IUPAC Name:
methyl 4-(3-chloropropanoylamino)benzoate
InChI:
InChI=1S/C11H12ClNO3/c1-16-11(15)8-2-4-9(5-3-8)13-10(14)6-7-12/h2-5H,6-7H2,1H3,(H,13,14)
InChI Key:
ZGEJOSXYYOIJQQ-UHFFFAOYSA-N
SMILES:
ClCCC(=O)Nc1ccc(cc1)C(=O)OC
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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