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10132-02-2 | 1-Phthalazinecarbonitrile, 4-phenyl-
CAS No: 10132-02-2 Catalog No: AG000488 MDL No:
Product Description
Catalog Number:
AG000488
Chemical Name:
1-Phthalazinecarbonitrile, 4-phenyl-
CAS Number:
10132-02-2
Molecular Formula:
C15H9N3
Molecular Weight:
231.2521
IUPAC Name:
4-phenylphthalazine-1-carbonitrile
InChI:
InChI=1S/C15H9N3/c16-10-14-12-8-4-5-9-13(12)15(18-17-14)11-6-2-1-3-7-11/h1-9H
InChI Key:
QXPKRILVRQXPCB-UHFFFAOYSA-N
SMILES:
N#Cc1nnc(c2c1cccc2)c1ccccc1
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.258g/mol
Monoisotopic Mass:
231.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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