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75898-96-3 | N-ACETYL-S-(2-BROMO-1,1-DIFLUOROETHYL)-L-CYSTEINE
CAS No: 75898-96-3 Catalog No: AG005HCS MDL No:
Product Description
Catalog Number:
AG005HCS
Chemical Name:
N-ACETYL-S-(2-BROMO-1,1-DIFLUOROETHYL)-L-CYSTEINE
CAS Number:
75898-96-3
Molecular Formula:
C7H10BrF2NO3S
Molecular Weight:
306.1250
IUPAC Name:
(2R)-2-acetamido-3-(2-bromo-1,1-difluoroethyl)sulfanylpropanoic acid
InChI:
InChI=1S/C7H10BrF2NO3S/c1-4(12)11-5(6(13)14)2-15-7(9,10)3-8/h5H,2-3H2,1H3,(H,11,12)(H,13,14)/t5-/m0/s1
InChI Key:
GAAHETXJPVEDFP-YFKPBYRVSA-N
SMILES:
BrCC(SC[C@@H](C(=O)O)NC(=O)C)(F)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
304.953g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.122g/mol
Monoisotopic Mass:
304.953g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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