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1542645-23-7 | 7-(PROPAN-2-YL)ISOQUINOLINE-1-CARBONITRILE
CAS No: 1542645-23-7 Catalog No: AG01BX5Z MDL No:MFCD22096569
Product Description
Catalog Number:
AG01BX5Z
Chemical Name:
7-(PROPAN-2-YL)ISOQUINOLINE-1-CARBONITRILE
CAS Number:
1542645-23-7
Molecular Formula:
C13H12N2
Molecular Weight:
196.2478
MDL Number:
MFCD22096569
IUPAC Name:
7-propan-2-ylisoquinoline-1-carbonitrile
InChI:
InChI=1S/C13H12N2/c1-9(2)11-4-3-10-5-6-15-13(8-14)12(10)7-11/h3-7,9H,1-2H3
InChI Key:
INBIAXILFAIXOO-UHFFFAOYSA-N
SMILES:
N#Cc1nccc2c1cc(cc2)C(C)C
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.253g/mol
Monoisotopic Mass:
196.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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