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34846-65-6 | Isoquinoline-4-carbonitrile
CAS No: 34846-65-6 Catalog No: AG007H6X MDL No:MFCD00957039
Product Description
Catalog Number:
AG007H6X
Chemical Name:
Isoquinoline-4-carbonitrile
CAS Number:
34846-65-6
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
MDL Number:
MFCD00957039
IUPAC Name:
isoquinoline-4-carbonitrile
InChI:
InChI=1S/C10H6N2/c11-5-9-7-12-6-8-3-1-2-4-10(8)9/h1-4,6-7H
InChI Key:
NPDZTCFGRSYTPF-UHFFFAOYSA-N
SMILES:
N#Cc1cncc2c1cccc2
NSC Number:
74868
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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