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13974-62-4 | Formimidic acid, 1-cyanothio-, phenyl ester (8CI)
CAS No: 13974-62-4 Catalog No: AG001BMM MDL No:
Product Description
Catalog Number:
AG001BMM
Chemical Name:
Formimidic acid, 1-cyanothio-, phenyl ester (8CI)
CAS Number:
13974-62-4
Molecular Formula:
C8H6N2S
Molecular Weight:
162.2116
IUPAC Name:
N-cyano-N-phenylformamide
InChI:
InChI=1S/C8H6N2O/c9-6-10(7-11)8-4-2-1-3-5-8/h1-5,7H
InChI Key:
UFLMFAGALQZNOV-UHFFFAOYSA-N
SMILES:
N#CC(=N)Sc1ccccc1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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