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7557-00-8

7557-00-8 | 7-Nitroquinazoline

CAS No: 7557-00-8 Catalog No: AG00GFOM MDL No:

Product Description

Catalog Number:
AG00GFOM
Chemical Name:
7-Nitroquinazoline
CAS Number:
7557-00-8
Molecular Formula:
C8H5N3O2
Molecular Weight:
175.1442
IUPAC Name:
7-nitroquinazoline
InChI:
InChI=1S/C8H5N3O2/c12-11(13)7-2-1-6-4-9-5-10-8(6)3-7/h1-5H
InChI Key:
GDYMOWJSENQTNU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)ncnc2

Properties

Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.147g/mol
Monoisotopic Mass:
175.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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