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117309-41-8 | Glycine, N-(4-chlorophenyl)-N-(phenylsulfonyl)-
CAS No: 117309-41-8 Catalog No: AG000E3U MDL No:MFCD00406209
Product Description
Catalog Number:
AG000E3U
Chemical Name:
Glycine, N-(4-chlorophenyl)-N-(phenylsulfonyl)-
CAS Number:
117309-41-8
Molecular Formula:
C14H12ClNO4S
Molecular Weight:
325.7674
MDL Number:
MFCD00406209
IUPAC Name:
2-[N-(benzenesulfonyl)-4-chloroanilino]acetic acid
InChI:
InChI=1S/C14H12ClNO4S/c15-11-6-8-12(9-7-11)16(10-14(17)18)21(19,20)13-4-2-1-3-5-13/h1-9H,10H2,(H,17,18)
InChI Key:
DINSNNGAGBNQJM-UHFFFAOYSA-N
SMILES:
OC(=O)CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)Cl
NSC Number:
626992
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.018g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.763g/mol
Monoisotopic Mass:
325.018g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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