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254888-50-1 | 7-Azabicyclo[4.1.0]hept-3-ene, 7-(diphenylphosphinyl)-
CAS No: 254888-50-1 Catalog No: AG006U4C MDL No:
Product Description
Catalog Number:
AG006U4C
Chemical Name:
7-Azabicyclo[4.1.0]hept-3-ene, 7-(diphenylphosphinyl)-
CAS Number:
254888-50-1
Molecular Formula:
C18H18NOP
Molecular Weight:
295.3154
IUPAC Name:
7-diphenylphosphoryl-7-azabicyclo[4.1.0]hept-3-ene
InChI:
InChI=1S/C18H18NOP/c20-21(15-9-3-1-4-10-15,16-11-5-2-6-12-16)19-17-13-7-8-14-18(17)19/h1-12,17-18H,13-14H2
InChI Key:
ZIWDCXWGUHABIE-UHFFFAOYSA-N
SMILES:
O=P(c1ccccc1)(c1ccccc1)N1C2C1CC=CC2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.113g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.322g/mol
Monoisotopic Mass:
295.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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