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145430-05-3 | Carbamic acid, [1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, phenylmethyl ester (9CI)
CAS No: 145430-05-3 Catalog No: AG001D1H MDL No:
Product Description
Catalog Number:
AG001D1H
Chemical Name:
Carbamic acid, [1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, phenylmethyl ester (9CI)
CAS Number:
145430-05-3
Molecular Formula:
C23H18F6NO3P
Molecular Weight:
501.3581
IUPAC Name:
benzyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
InChI:
InChI=1S/C23H18F6NO3P/c24-22(25,26)21(23(27,28)29,30-20(31)33-16-17-10-4-1-5-11-17)34(32,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,30,31)
InChI Key:
GZYRPVGTNHFDCN-UHFFFAOYSA-N
SMILES:
O=C(NC(P(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F)OCc1ccccc1
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.093g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
501.365g/mol
Monoisotopic Mass:
501.093g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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