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138371-13-8 | Benzamide, N-[2-(triphenylphosphoranylidene)ethylidene]-
CAS No: 138371-13-8 Catalog No: AG0018O4 MDL No:
Product Description
Catalog Number:
AG0018O4
Chemical Name:
Benzamide, N-[2-(triphenylphosphoranylidene)ethylidene]-
CAS Number:
138371-13-8
Molecular Formula:
C27H22NOP
Molecular Weight:
407.4434
IUPAC Name:
N-[2-(triphenyl-λ5-phosphanylidene)ethylidene]benzamide
InChI:
InChI=1S/C27H22NOP/c29-27(23-13-5-1-6-14-23)28-21-22-30(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-22H
InChI Key:
ATGXNLLGQACRPJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)N=CC=P(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.144g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.453g/mol
Monoisotopic Mass:
407.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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