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179039-70-4 | Benzoic acid, 2-[(triphenylphosphoranylidene)amino]-, ethyl ester
CAS No: 179039-70-4 Catalog No: AG0026Q9 MDL No:
Product Description
Catalog Number:
AG0026Q9
Chemical Name:
Benzoic acid, 2-[(triphenylphosphoranylidene)amino]-, ethyl ester
CAS Number:
179039-70-4
Molecular Formula:
C27H24NO2P
Molecular Weight:
425.4587
IUPAC Name:
ethyl 2-[(triphenyl-λ5-phosphanylidene)amino]benzoate
InChI:
InChI=1S/C27H24NO2P/c1-2-30-27(29)25-20-12-13-21-26(25)28-31(22-14-6-3-7-15-22,23-16-8-4-9-17-23)24-18-10-5-11-19-24/h3-21H,2H2,1H3
InChI Key:
SFQPXBOVNXMKCP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.154g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.468g/mol
Monoisotopic Mass:
425.154g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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