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102536-05-0 | Benzonitrile, 3-(2-phenylhydrazinyl)-
CAS No: 102536-05-0 Catalog No: AG0007O8 MDL No:
Product Description
Catalog Number:
AG0007O8
Chemical Name:
Benzonitrile, 3-(2-phenylhydrazinyl)-
CAS Number:
102536-05-0
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
3-(2-phenylhydrazinyl)benzonitrile
InChI:
InChI=1S/C13H11N3/c14-10-11-5-4-8-13(9-11)16-15-12-6-2-1-3-7-12/h1-9,15-16H
InChI Key:
WWDTXERQSODZHI-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NNc1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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