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102516-57-4 | L-Cysteine, N-acetyl-S-(2-bromo-1-fluoroethenyl)-, methyl ester
CAS No: 102516-57-4 Catalog No: AG0007MW MDL No:
Product Description
Catalog Number:
AG0007MW
Chemical Name:
L-Cysteine, N-acetyl-S-(2-bromo-1-fluoroethenyl)-, methyl ester
CAS Number:
102516-57-4
Molecular Formula:
C8H11BrFNO3S
Molecular Weight:
300.1452
IUPAC Name:
methyl 2-acetamido-3-(2-bromo-1-fluoroethenyl)sulfanylpropanoate
InChI:
InChI=1S/C8H11BrFNO3S/c1-5(12)11-6(8(13)14-2)4-15-7(10)3-9/h3,6H,4H2,1-2H3,(H,11,12)
InChI Key:
SHUNLFZVSABWSW-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H](NC(=O)C)CSC(=CBr)F
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.963g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.142g/mol
Monoisotopic Mass:
298.963g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.3
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