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1449132-27-7 | ((3-Chlorophenyl)sulfonyl)phenylalanine
CAS No: 1449132-27-7 Catalog No: AG01FN3J MDL No:MFCD07433680
Product Description
Catalog Number:
AG01FN3J
Chemical Name:
((3-Chlorophenyl)sulfonyl)phenylalanine
CAS Number:
1449132-27-7
Molecular Formula:
C15H14ClNO4S
Molecular Weight:
339.7940
MDL Number:
MFCD07433680
IUPAC Name:
2-[(3-chlorophenyl)sulfonylamino]-3-phenylpropanoic acid
InChI:
InChI=1S/C15H14ClNO4S/c16-12-7-4-8-13(10-12)22(20,21)17-14(15(18)19)9-11-5-2-1-3-6-11/h1-8,10,14,17H,9H2,(H,18,19)
InChI Key:
XZBAIPMBXLSRKT-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)S(=O)(=O)NC(C(=O)O)Cc1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.033g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
339.79g/mol
Monoisotopic Mass:
339.033g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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