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1231761-02-6 | 5-Quinazolinecarbonitrile
CAS No: 1231761-02-6 Catalog No: AG000K4I MDL No:MFCD21642001
Product Description
Catalog Number:
AG000K4I
Chemical Name:
5-Quinazolinecarbonitrile
CAS Number:
1231761-02-6
Molecular Formula:
C9H5N3
Molecular Weight:
155.1561
MDL Number:
MFCD21642001
IUPAC Name:
quinazoline-5-carbonitrile
InChI:
InChI=1S/C9H5N3/c10-4-7-2-1-3-9-8(7)5-11-6-12-9/h1-3,5-6H
InChI Key:
OPZNJYOCOUQAQL-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1cncn2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.048g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.16g/mol
Monoisotopic Mass:
155.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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