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Home > Nitro Compounds > 78373-11-2
78373-11-2 | Benzoic acid,4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester
CAS No: 78373-11-2 Catalog No: AG005BES MDL No:
Product Description
Catalog Number:
AG005BES
Chemical Name:
Benzoic acid,4-(2-methyl-7-nitro-4-oxo-3(4H)-quinazolinyl)-, methyl ester
CAS Number:
78373-11-2
Molecular Formula:
C17H13N3O5
Molecular Weight:
339.3022
IUPAC Name:
methyl 4-(2-methyl-7-nitro-4-oxoquinazolin-3-yl)benzoate
InChI:
InChI=1S/C17H13N3O5/c1-10-18-15-9-13(20(23)24)7-8-14(15)16(21)19(10)12-5-3-11(4-6-12)17(22)25-2/h3-9H,1-2H3
InChI Key:
FKNYHQOUUOAANU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)n1c(C)nc2c(c1=O)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.086g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.307g/mol
Monoisotopic Mass:
339.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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