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145430-08-6 | Carbamic acid, [1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, 3-methylbutyl ester (9CI)
CAS No: 145430-08-6 Catalog No: AG001D1G MDL No:
Product Description
Catalog Number:
AG001D1G
Chemical Name:
Carbamic acid, [1-(diphenylphosphinyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-, 3-methylbutyl ester (9CI)
CAS Number:
145430-08-6
Molecular Formula:
C21H22F6NO3P
Molecular Weight:
481.3685
IUPAC Name:
3-methylbutyl N-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
InChI:
InChI=1S/C21H22F6NO3P/c1-15(2)13-14-31-18(29)28-19(20(22,23)24,21(25,26)27)32(30,16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,28,29)
InChI Key:
RXYZJSFQYLLONF-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)NC(P(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F)C
Properties
Complexity:
631
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.124g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
481.375g/mol
Monoisotopic Mass:
481.124g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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