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Home > Nitro Compounds > 306979-38-4
306979-38-4 | N-{5H,6H-benzo[h]quinazolin-2-yl}-3-nitrobenzamide
CAS No: 306979-38-4 Catalog No: AG00INNT MDL No:MFCD00231310
Product Description
Catalog Number:
AG00INNT
Chemical Name:
N-{5H,6H-benzo[h]quinazolin-2-yl}-3-nitrobenzamide
CAS Number:
306979-38-4
Molecular Formula:
C19H14N4O3
Molecular Weight:
346.3395
MDL Number:
MFCD00231310
IUPAC Name:
N-(5,6-dihydrobenzo[h]quinazolin-2-yl)-3-nitrobenzamide
InChI:
InChI=1S/C19H14N4O3/c24-18(13-5-3-6-15(10-13)23(25)26)22-19-20-11-14-9-8-12-4-1-2-7-16(12)17(14)21-19/h1-7,10-11H,8-9H2,(H,20,21,22,24)
InChI Key:
BIZJBUMBHJRGHC-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])Nc1ncc2c(n1)c1ccccc1CC2
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.107g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.346g/mol
Monoisotopic Mass:
346.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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