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106778-42-1 | Isoquinoline-6-carbonitrile
CAS No: 106778-42-1 Catalog No: AG003N75 MDL No:MFCD09991660
Product Description
Catalog Number:
AG003N75
Chemical Name:
Isoquinoline-6-carbonitrile
CAS Number:
106778-42-1
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
MDL Number:
MFCD09991660
IUPAC Name:
isoquinoline-6-carbonitrile
InChI:
InChI=1S/C10H6N2/c11-6-8-1-2-10-7-12-4-3-9(10)5-8/h1-5,7H
InChI Key:
DCSWGUBEMVRKQO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)ccnc2
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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