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2082-64-6 | Thiocyanic acid, (4-chlorophenyl)methyl ester
CAS No: 2082-64-6 Catalog No: AG002JKL MDL No:MFCD01680436
Product Description
Catalog Number:
AG002JKL
Chemical Name:
Thiocyanic acid, (4-chlorophenyl)methyl ester
CAS Number:
2082-64-6
Molecular Formula:
C8H6ClNS
Molecular Weight:
183.6579
MDL Number:
MFCD01680436
IUPAC Name:
(4-chlorophenyl)methyl thiocyanate
InChI:
InChI=1S/C8H6ClNS/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5H2
InChI Key:
LCVXZQSGKZLSOR-UHFFFAOYSA-N
SMILES:
N#CSCc1ccc(cc1)Cl
NSC Number:
56501
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.653g/mol
Monoisotopic Mass:
182.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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