Home Nitriles 5-Quinazolinecarbonitrile, 3,4-dihydro-4-oxo-

5-Quinazolinecarbonitrile, 3,4-dihydro-4-oxo-

CAS No.:
1260658-66-9
Catalog Number:
AG000QZZ
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
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Product Description
Catalog Number:
AG000QZZ
Chemical Name:
5-Quinazolinecarbonitrile, 3,4-dihydro-4-oxo-
CAS Number:
1260658-66-9
Molecular Formula:
C9H5N3O
Molecular Weight:
171.1555
MDL Number:
MFCD15527379
IUPAC Name:
4-oxo-3H-quinazoline-5-carbonitrile
InChI:
InChI=1S/C9H5N3O/c10-4-6-2-1-3-7-8(6)9(13)12-5-11-7/h1-3,5H,(H,11,12,13)
InChI Key:
MPVAOMGGGOLKDL-UHFFFAOYSA-N
SMILES:
N#Cc1cccc2c1c(=O)[nH]cn2
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.043g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.159g/mol
Monoisotopic Mass:
171.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties