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100726-23-6 | Benzonitrile, 4-[(2-phenylhydrazinylidene)methyl]-
CAS No: 100726-23-6 Catalog No: AG0002QD MDL No:
Product Description
Catalog Number:
AG0002QD
Chemical Name:
Benzonitrile, 4-[(2-phenylhydrazinylidene)methyl]-
CAS Number:
100726-23-6
Molecular Formula:
C14H11N3
Molecular Weight:
221.2572
IUPAC Name:
4-[(phenylhydrazinylidene)methyl]benzonitrile
InChI:
InChI=1S/C14H11N3/c15-10-12-6-8-13(9-7-12)11-16-17-14-4-2-1-3-5-14/h1-9,11,17H
InChI Key:
CXCWFSDDYJMHAM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C=NNc1ccccc1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.263g/mol
Monoisotopic Mass:
221.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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