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Home > Fluorides > 190275-60-6
190275-60-6 | D-Valine, N-[(4-fluorophenyl)sulfonyl]-
CAS No: 190275-60-6 Catalog No: AG002EG4 MDL No:
Product Description
Catalog Number:
AG002EG4
Chemical Name:
D-Valine, N-[(4-fluorophenyl)sulfonyl]-
CAS Number:
190275-60-6
Molecular Formula:
C11H14FNO4S
Molecular Weight:
275.2966
IUPAC Name:
(2R)-2-[(4-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
InChI:
InChI=1S/C11H14FNO4S/c1-7(2)10(11(14)15)13-18(16,17)9-5-3-8(12)4-6-9/h3-7,10,13H,1-2H3,(H,14,15)/t10-/m1/s1
InChI Key:
VNRQLAGSSZUTTO-SNVBAGLBSA-N
SMILES:
CC([C@H](C(=O)O)NS(=O)(=O)c1ccc(cc1)F)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
275.294g/mol
Monoisotopic Mass:
275.063g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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