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83474-09-3 | Acetonitrile, [(3-chloro-4-hydroxyphenyl)thio]-
CAS No: 83474-09-3 Catalog No: AG004VB9 MDL No:
Product Description
Catalog Number:
AG004VB9
Chemical Name:
Acetonitrile, [(3-chloro-4-hydroxyphenyl)thio]-
CAS Number:
83474-09-3
Molecular Formula:
C8H6ClNOS
Molecular Weight:
199.6573
IUPAC Name:
2-(3-chloro-4-hydroxyphenyl)sulfanylacetonitrile
InChI:
InChI=1S/C8H6ClNOS/c9-7-5-6(12-4-3-10)1-2-8(7)11/h1-2,5,11H,4H2
InChI Key:
PLUDPLJNTJHQCY-UHFFFAOYSA-N
SMILES:
N#CCSc1ccc(c(c1)Cl)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.986g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.652g/mol
Monoisotopic Mass:
198.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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