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362606-11-9 | Isoquinoline-8-carbonitrile
CAS No: 362606-11-9 Catalog No: AG007A8A MDL No:MFCD10699232
Product Description
Catalog Number:
AG007A8A
Chemical Name:
Isoquinoline-8-carbonitrile
CAS Number:
362606-11-9
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
MDL Number:
MFCD10699232
IUPAC Name:
isoquinoline-8-carbonitrile
InChI:
InChI=1S/C10H6N2/c11-6-9-3-1-2-8-4-5-12-7-10(8)9/h1-5,7H
InChI Key:
PZNNHPZBZRHNDO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cncc2
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:
1.8
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