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116861-44-0 | Cysteine, N-phenyl-, hydrobromide (9CI)
CAS No: 116861-44-0 Catalog No: AG000DCF MDL No:
Product Description
Catalog Number:
AG000DCF
Chemical Name:
Cysteine, N-phenyl-, hydrobromide (9CI)
CAS Number:
116861-44-0
Molecular Formula:
C9H12BrNO2S
Molecular Weight:
278.1661
IUPAC Name:
2-anilino-3-sulfanylpropanoic acid;hydrobromide
InChI:
InChI=1S/C9H11NO2S.BrH/c11-9(12)8(6-13)10-7-4-2-1-3-5-7;/h1-5,8,10,13H,6H2,(H,11,12);1H
InChI Key:
NGFAVQVWBOQNDE-UHFFFAOYSA-N
SMILES:
SC[C@@H](C(=O)O)Nc1ccccc1.Br
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.977g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
278.164g/mol
Monoisotopic Mass:
276.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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