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83596-90-1 | Glycine, N-(3-chloro-2-mercaptobenzoyl)-N-cyclopentyl-
CAS No: 83596-90-1 Catalog No: AG004TT9 MDL No:
Product Description
Catalog Number:
AG004TT9
Chemical Name:
Glycine, N-(3-chloro-2-mercaptobenzoyl)-N-cyclopentyl-
CAS Number:
83596-90-1
Molecular Formula:
C14H16ClNO3S
Molecular Weight:
313.7997
IUPAC Name:
2-[(3-chloro-2-sulfanylbenzoyl)-cyclopentylamino]acetic acid
InChI:
InChI=1S/C14H16ClNO3S/c15-11-7-3-6-10(13(11)20)14(19)16(8-12(17)18)9-4-1-2-5-9/h3,6-7,9,20H,1-2,4-5,8H2,(H,17,18)
InChI Key:
HWMUVZBRGKAJCZ-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1S)Cl)N(C1CCCC1)CC(=O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
313.796g/mol
Monoisotopic Mass:
313.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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