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223671-92-9 | 7-Isoquinolinecarbonitrile(9CI)
CAS No: 223671-92-9 Catalog No: AG00BE4W MDL No:MFCD10699231
Product Description
Catalog Number:
AG00BE4W
Chemical Name:
7-Isoquinolinecarbonitrile(9CI)
CAS Number:
223671-92-9
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
MDL Number:
MFCD10699231
IUPAC Name:
isoquinoline-7-carbonitrile
InChI:
InChI=1S/C10H6N2/c11-6-8-1-2-9-3-4-12-7-10(9)5-8/h1-5,7H
InChI Key:
JGMSGABJHLXRRW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)cncc2
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.172g/mol
Monoisotopic Mass:
154.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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