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126216-13-5 | L-Cysteine, N-acetyl-S-(4-bromo-2,5-dihydroxyphenyl)-
CAS No: 126216-13-5 Catalog No: AG000SCQ MDL No:
Product Description
Catalog Number:
AG000SCQ
Chemical Name:
L-Cysteine, N-acetyl-S-(4-bromo-2,5-dihydroxyphenyl)-
CAS Number:
126216-13-5
Molecular Formula:
C11H12BrNO5S
Molecular Weight:
350.1857
IUPAC Name:
(2R)-2-acetamido-3-(4-bromo-2,5-dihydroxyphenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C11H12BrNO5S/c1-5(14)13-7(11(17)18)4-19-10-3-8(15)6(12)2-9(10)16/h2-3,7,15-16H,4H2,1H3,(H,13,14)(H,17,18)/t7-/m0/s1
InChI Key:
BAWSSZXNXYCICI-ZETCQYMHSA-N
SMILES:
CC(=O)N[C@H](C(=O)O)CSc1cc(O)c(cc1O)Br
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
348.962g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
350.183g/mol
Monoisotopic Mass:
348.962g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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