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Home > Nitro Compounds > 84571-13-1
84571-13-1 | Quinazoline, 1,2,3,4-tetrahydro-2-(2-nitrophenyl)-4-phenyl-
CAS No: 84571-13-1 Catalog No: AG0052MO MDL No:
Product Description
Catalog Number:
AG0052MO
Chemical Name:
Quinazoline, 1,2,3,4-tetrahydro-2-(2-nitrophenyl)-4-phenyl-
CAS Number:
84571-13-1
Molecular Formula:
C20H17N3O2
Molecular Weight:
331.3679
IUPAC Name:
2-(2-nitrophenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
InChI:
InChI=1S/C20H17N3O2/c24-23(25)18-13-7-5-11-16(18)20-21-17-12-6-4-10-15(17)19(22-20)14-8-2-1-3-9-14/h1-13,19-22H
InChI Key:
KDJFDBICJDMUBY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1C1Nc2ccccc2C(N1)c1ccccc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.132g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
331.375g/mol
Monoisotopic Mass:
331.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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