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Home > Nitro Compounds > 358775-08-3
358775-08-3 | 2-{4-[(4-nitrophenyl)methoxy]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one
CAS No: 358775-08-3 Catalog No: AG00IV5C MDL No:MFCD00170328
Product Description
Catalog Number:
AG00IV5C
Chemical Name:
2-{4-[(4-nitrophenyl)methoxy]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one
CAS Number:
358775-08-3
Molecular Formula:
C21H17N3O4
Molecular Weight:
375.3774
MDL Number:
MFCD00170328
IUPAC Name:
2-[4-[(4-nitrophenyl)methoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
InChI:
InChI=1S/C21H17N3O4/c25-21-18-3-1-2-4-19(18)22-20(23-21)15-7-11-17(12-8-15)28-13-14-5-9-16(10-6-14)24(26)27/h1-12,20,22H,13H2,(H,23,25)
InChI Key:
LGRAUNPKMPPZRE-UHFFFAOYSA-N
SMILES:
O=C1NC(Nc2c1cccc2)c1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.122g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.384g/mol
Monoisotopic Mass:
375.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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