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918330-63-9 | Butanoic acid, 2-[[(4-chlorophenyl)sulfonyl]amino]-, methyl ester, (2S)-
CAS No: 918330-63-9 Catalog No: AG006GCM MDL No:
Product Description
Catalog Number:
AG006GCM
Chemical Name:
Butanoic acid, 2-[[(4-chlorophenyl)sulfonyl]amino]-, methyl ester, (2S)-
CAS Number:
918330-63-9
Molecular Formula:
C11H14ClNO4S
Molecular Weight:
291.7512
IUPAC Name:
methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]butanoate
InChI:
InChI=1S/C11H14ClNO4S/c1-3-10(11(14)17-2)13-18(15,16)9-6-4-8(12)5-7-9/h4-7,10,13H,3H2,1-2H3/t10-/m0/s1
InChI Key:
UTVMMYAYJZXJFO-JTQLQIEISA-N
SMILES:
CC[C@@H](C(=O)OC)NS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.746g/mol
Monoisotopic Mass:
291.033g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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