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84017-29-8 | 2-Biphenylenecarbonitrile
CAS No: 84017-29-8 Catalog No: AG004U8A MDL No:
Product Description
Catalog Number:
AG004U8A
Chemical Name:
2-Biphenylenecarbonitrile
CAS Number:
84017-29-8
Molecular Formula:
C13H7N
Molecular Weight:
177.2014
IUPAC Name:
biphenylene-2-carbonitrile
InChI:
InChI=1S/C13H7N/c14-8-9-5-6-12-10-3-1-2-4-11(10)13(12)7-9/h1-7H
InChI Key:
FCAZIGUUPPQPSZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c1c2cccc1
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.058g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.206g/mol
Monoisotopic Mass:
177.058g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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