Home Nitriles 6-Quinazolinecarbonitrile, 4-ethoxy-

6-Quinazolinecarbonitrile, 4-ethoxy-

CAS No.:
1818847-80-1
Catalog Number:
AG00236R
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
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Product Description
Catalog Number:
AG00236R
Chemical Name:
6-Quinazolinecarbonitrile, 4-ethoxy-
CAS Number:
1818847-80-1
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
MDL Number:
MFCD29060193
IUPAC Name:
4-ethoxyquinazoline-6-carbonitrile
InChI:
InChI=1S/C11H9N3O/c1-2-15-11-9-5-8(6-12)3-4-10(9)13-7-14-11/h3-5,7H,2H2,1H3
InChI Key:
ARBIUFZVGJEHHC-UHFFFAOYSA-N
SMILES:
CCOc1ncnc2c1cc(C#N)cc2
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties