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27655-41-0 | 5-Isoquinolinecarbonitrile
CAS No: 27655-41-0 Catalog No: AG002UCA MDL No:MFCD03109890
Product Description
Catalog Number:
AG002UCA
Chemical Name:
5-Isoquinolinecarbonitrile
CAS Number:
27655-41-0
Molecular Formula:
C10H6N2
Molecular Weight:
154.1680
MDL Number:
MFCD03109890
IUPAC Name:
isoquinoline-5-carbonitrile
InChI:
InChI=1S/C10H6N2/c11-6-8-2-1-3-9-7-12-5-4-10(8)9/h1-5,7H
InChI Key:
XVJDHUCBVHTPGE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1ccnc2
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
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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