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126189-97-7 | Cysteine, N-acetyl-S-(3-bromophenyl)-
CAS No: 126189-97-7 Catalog No: AG000S3F MDL No:
Product Description
Catalog Number:
AG000S3F
Chemical Name:
Cysteine, N-acetyl-S-(3-bromophenyl)-
CAS Number:
126189-97-7
Molecular Formula:
C11H12BrNO3S
Molecular Weight:
318.1869
IUPAC Name:
2-acetamido-3-(3-bromophenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C11H12BrNO3S/c1-7(14)13-10(11(15)16)6-17-9-4-2-3-8(12)5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)
InChI Key:
OBKMKYALNXDNBZ-UHFFFAOYSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)CSc1cccc(c1)Br
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.972g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.185g/mol
Monoisotopic Mass:
316.972g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
91.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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