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Home > Other Heterocycles > 82409-33-4
82409-33-4 | 4-phenyl-2,6-diaza-4-phosphabicyclo[5.4.0]undeca-7,9,11-triene
CAS No: 82409-33-4 Catalog No: AG0052D9 MDL No:
Product Description
Catalog Number:
AG0052D9
Chemical Name:
4-phenyl-2,6-diaza-4-phosphabicyclo[5.4.0]undeca-7,9,11-triene
CAS Number:
82409-33-4
Molecular Formula:
C14H15N2P
Molecular Weight:
242.2561
IUPAC Name:
3-phenyl-1,2,4,5-tetrahydro-1,5,3-benzodiazaphosphepine
InChI:
InChI=1S/C14H15N2P/c1-2-6-12(7-3-1)17-10-15-13-8-4-5-9-14(13)16-11-17/h1-9,15-16H,10-11H2
InChI Key:
FLBYLAFBYGBMTE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)P1CNc2c(NC1)cccc2
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.097g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.262g/mol
Monoisotopic Mass:
242.097g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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