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1141-23-7 | Benzenepropanoic acid, β-(2-amino-2-oxoethyl)-4-chloro-
CAS No: 1141-23-7 Catalog No: AG000AKH MDL No:MFCD00190251
Product Description
Catalog Number:
AG000AKH
Chemical Name:
Benzenepropanoic acid, β-(2-amino-2-oxoethyl)-4-chloro-
CAS Number:
1141-23-7
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
MDL Number:
MFCD00190251
IUPAC Name:
5-amino-3-(4-chlorophenyl)-5-oxopentanoic acid
InChI:
InChI=1S/C11H12ClNO3/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H2,13,14)(H,15,16)
InChI Key:
NLCJVRPOYTZTMS-UHFFFAOYSA-N
SMILES:
NC(=O)CC(c1ccc(cc1)Cl)CC(=O)O
Properties
Complexity:
262
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:
2
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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