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197170-08-4 | pentanoic acid, 5-[(3-chlorophenyl)amino]-5-oxo-
CAS No: 197170-08-4 Catalog No: AG002AMP MDL No:MFCD00090073
Product Description
Catalog Number:
AG002AMP
Chemical Name:
pentanoic acid, 5-[(3-chlorophenyl)amino]-5-oxo-
CAS Number:
197170-08-4
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
MDL Number:
MFCD00090073
IUPAC Name:
5-(3-chloroanilino)-5-oxopentanoic acid
InChI:
InChI=1S/C11H12ClNO3/c12-8-3-1-4-9(7-8)13-10(14)5-2-6-11(15)16/h1,3-4,7H,2,5-6H2,(H,13,14)(H,15,16)
InChI Key:
IOGZUZWYWFERNY-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)CCCC(=O)O
Properties
Complexity:
258
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:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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