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1443345-49-0 | 4-Chloro-3-iso-pentoxybenzotrifluoride
CAS No: 1443345-49-0 Catalog No: AG01FCRT MDL No:
Product Description
Catalog Number:
AG01FCRT
Chemical Name:
4-Chloro-3-iso-pentoxybenzotrifluoride
CAS Number:
1443345-49-0
Molecular Formula:
C12H14ClF3O
Molecular Weight:
266.6872
IUPAC Name:
1-chloro-2-(3-methylbutoxy)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C12H14ClF3O/c1-8(2)5-6-17-11-7-9(12(14,15)16)3-4-10(11)13/h3-4,7-8H,5-6H2,1-2H3
InChI Key:
JMTBYKHWSCDMKO-UHFFFAOYSA-N
SMILES:
CC(CCOc1cc(ccc1Cl)C(F)(F)F)C
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.688g/mol
Monoisotopic Mass:
266.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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