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14030-84-3 | Thiocyanic acid, 4-amino-2-chloro-3-methylphenyl ester
CAS No: 14030-84-3 Catalog No: AG001C8Y MDL No:MFCD11855819
Product Description
Catalog Number:
AG001C8Y
Chemical Name:
Thiocyanic acid, 4-amino-2-chloro-3-methylphenyl ester
CAS Number:
14030-84-3
Molecular Formula:
C8H7ClN2S
Molecular Weight:
198.6726
MDL Number:
MFCD11855819
IUPAC Name:
(4-amino-2-chloro-3-methylphenyl) thiocyanate
InChI:
InChI=1S/C8H7ClN2S/c1-5-6(11)2-3-7(8(5)9)12-4-10/h2-3H,11H2,1H3
InChI Key:
JRZHLVJULLQAMV-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(c(c1Cl)C)N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.002g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.668g/mol
Monoisotopic Mass:
198.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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