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23452-80-4 | 2-Propanol, 1-(2-propyn-1-yloxy)-3-[[4-(trifluoromethyl)phenyl]amino]-
CAS No: 23452-80-4 Catalog No: AG002NAK MDL No:
Product Description
Catalog Number:
AG002NAK
Chemical Name:
2-Propanol, 1-(2-propyn-1-yloxy)-3-[[4-(trifluoromethyl)phenyl]amino]-
CAS Number:
23452-80-4
Molecular Formula:
C13H14F3NO2
Molecular Weight:
273.2510
IUPAC Name:
1-prop-2-ynoxy-3-[4-(trifluoromethyl)anilino]propan-2-ol
InChI:
InChI=1S/C13H14F3NO2/c1-2-7-19-9-12(18)8-17-11-5-3-10(4-6-11)13(14,15)16/h1,3-6,12,17-18H,7-9H2
InChI Key:
SNLNHWZYMQTTKB-UHFFFAOYSA-N
SMILES:
OC(COCC#C)CNc1ccc(cc1)C(F)(F)F
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
273.255g/mol
Monoisotopic Mass:
273.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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