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88267-81-6

88267-81-6 | 2-Quinazolinecarbonitrile, 1,4-dihydro-1-methyl-4-oxo-

CAS No: 88267-81-6 Catalog No: AG004BKA MDL No:

Product Description

Catalog Number:
AG004BKA
Chemical Name:
2-Quinazolinecarbonitrile, 1,4-dihydro-1-methyl-4-oxo-
CAS Number:
88267-81-6
Molecular Formula:
C10H7N3O
Molecular Weight:
185.1821
IUPAC Name:
1-methyl-4-oxoquinazoline-2-carbonitrile
InChI:
InChI=1S/C10H7N3O/c1-13-8-5-3-2-4-7(8)10(14)12-9(13)6-11/h2-5H,1H3
InChI Key:
GGXRSFLTCIYLDK-UHFFFAOYSA-N
SMILES:
N#Cc1nc(=O)c2c(n1C)cccc2

Properties

Complexity:
339  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.059g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.186g/mol
Monoisotopic Mass:
185.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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