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141342-59-8 | L-Cysteine, S-(3,5-dichloro-6-hydroxy-2,4-cyclohexadien-1-yl)-
CAS No: 141342-59-8 Catalog No: AG001G9V MDL No:
Product Description
Catalog Number:
AG001G9V
Chemical Name:
L-Cysteine, S-(3,5-dichloro-6-hydroxy-2,4-cyclohexadien-1-yl)-
CAS Number:
141342-59-8
Molecular Formula:
C9H11Cl2NO3S
Molecular Weight:
284.1595
IUPAC Name:
2-amino-3-(3,5-dichloro-6-hydroxycyclohexa-2,4-dien-1-yl)sulfanylpropanoic acid
InChI:
InChI=1S/C9H11Cl2NO3S/c10-4-1-5(11)8(13)7(2-4)16-3-6(12)9(14)15/h1-2,6-8,13H,3,12H2,(H,14,15)
InChI Key:
JLLYUDSXFSUCQR-UHFFFAOYSA-N
SMILES:
ClC1=CC(SC[C@@H](C(=O)O)N)C(C(=C1)Cl)O
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
284.151g/mol
Monoisotopic Mass:
282.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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