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116138-46-6 | Benzenecarbodithioic acid, 3-chloro-4-hydroxy-, methyl ester
CAS No: 116138-46-6 Catalog No: AG000BQL MDL No:
Product Description
Catalog Number:
AG000BQL
Chemical Name:
Benzenecarbodithioic acid, 3-chloro-4-hydroxy-, methyl ester
CAS Number:
116138-46-6
Molecular Formula:
C8H7ClOS2
Molecular Weight:
218.7236
IUPAC Name:
methyl 3-chloro-4-hydroxybenzenecarbodithioate
InChI:
InChI=1S/C8H7ClOS2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
InChI Key:
FEPPUGFDXCFOSU-UHFFFAOYSA-N
SMILES:
CSC(=S)c1ccc(c(c1)Cl)O
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.713g/mol
Monoisotopic Mass:
217.963g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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