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89733-23-3 | Carbamic acid, [3-(trifluoromethyl)cyclohexyl]-, 2-propynyl ester
CAS No: 89733-23-3 Catalog No: AG0041WT MDL No:
Product Description
Catalog Number:
AG0041WT
Chemical Name:
Carbamic acid, [3-(trifluoromethyl)cyclohexyl]-, 2-propynyl ester
CAS Number:
89733-23-3
Molecular Formula:
C11H14F3NO2
Molecular Weight:
249.2296
IUPAC Name:
prop-2-ynyl N-[3-(trifluoromethyl)cyclohexyl]carbamate
InChI:
InChI=1S/C11H14F3NO2/c1-2-6-17-10(16)15-9-5-3-4-8(7-9)11(12,13)14/h1,8-9H,3-7H2,(H,15,16)
InChI Key:
DIMNDJGNLUJLLR-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)NC1CCCC(C1)C(F)(F)F
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.233g/mol
Monoisotopic Mass:
249.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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