200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 90059-42-0
90059-42-0 | 4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-2-(4-nitrophenyl)-
CAS No: 90059-42-0 Catalog No: AG00H8S9 MDL No:
Product Description
Catalog Number:
AG00H8S9
Chemical Name:
4(3H)-Quinazolinone, 3-(3-methyl-5-isoxazolyl)-2-(4-nitrophenyl)-
CAS Number:
90059-42-0
Molecular Formula:
C18H12N4O4
Molecular Weight:
348.3123
IUPAC Name:
3-(3-methyl-1,2-oxazol-5-yl)-2-(4-nitrophenyl)quinazolin-4-one
InChI:
InChI=1S/C18H12N4O4/c1-11-10-16(26-20-11)21-17(12-6-8-13(9-7-12)22(24)25)19-15-5-3-2-4-14(15)18(21)23/h2-10H,1H3
InChI Key:
ZCMCEGXIQZUSGF-UHFFFAOYSA-N
SMILES:
Cc1noc(c1)n1c(nc2c(c1=O)cccc2)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.086g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.318g/mol
Monoisotopic Mass:
348.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.