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88404-50-6 | 4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]-
CAS No: 88404-50-6 Catalog No: AG004IAF MDL No:
Product Description
Catalog Number:
AG004IAF
Chemical Name:
4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]-
CAS Number:
88404-50-6
Molecular Formula:
C15H10N4O3
Molecular Weight:
294.2649
IUPAC Name:
3-[(2-nitrophenyl)methylideneamino]quinazolin-4-one
InChI:
InChI=1S/C15H10N4O3/c20-15-12-6-2-3-7-13(12)16-10-18(15)17-9-11-5-1-4-8-14(11)19(21)22/h1-10H
InChI Key:
MPCZTXWSDLDWDN-UHFFFAOYSA-N
SMILES:
O=c1n(N=Cc2ccccc2[N+](=O)[O-])cnc2c1cccc2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.27g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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