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Home > Nitro Compounds > 74292-76-5
74292-76-5 | 1,5-Diazabicyclo[5.1.0]oct-5-ene,8-(4-nitrophenyl)-6-phenyl-
CAS No: 74292-76-5 Catalog No: AG005CG6 MDL No:
Product Description
Catalog Number:
AG005CG6
Chemical Name:
1,5-Diazabicyclo[5.1.0]oct-5-ene,8-(4-nitrophenyl)-6-phenyl-
CAS Number:
74292-76-5
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
IUPAC Name:
8-(4-nitrophenyl)-6-phenyl-1,5-diazabicyclo[5.1.0]oct-5-ene
InChI:
InChI=1S/C18H17N3O2/c22-21(23)15-9-7-14(8-10-15)17-18-16(13-5-2-1-3-6-13)19-11-4-12-20(17)18/h1-3,5-10,17-18H,4,11-12H2
InChI Key:
UDBUNCFKPKTASM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1N2C1C(=NCCC2)c1ccccc1
NSC Number:
149729
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.353g/mol
Monoisotopic Mass:
307.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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