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Home > Nitro Compounds > 67502-84-5
67502-84-5 | 3H-1,5-Benzodiazepine, 2-(4-nitrophenyl)-4-phenyl-
CAS No: 67502-84-5 Catalog No: AG005NDH MDL No:
Product Description
Catalog Number:
AG005NDH
Chemical Name:
3H-1,5-Benzodiazepine, 2-(4-nitrophenyl)-4-phenyl-
CAS Number:
67502-84-5
Molecular Formula:
C21H15N3O2
Molecular Weight:
341.3627
IUPAC Name:
4-(4-nitrophenyl)-2-phenyl-3H-1,5-benzodiazepine
InChI:
InChI=1S/C21H15N3O2/c25-24(26)17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-18-8-4-5-9-19(18)23-21/h1-13H,14H2
InChI Key:
JWAXLVXZTCRKQI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=Nc2ccccc2N=C(C1)c1ccccc1
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.116g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.37g/mol
Monoisotopic Mass:
341.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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