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1443345-27-4 | 4-Chloro-3-n-hexyloxybenzotrifluoride
CAS No: 1443345-27-4 Catalog No: AG01FD6X MDL No:
Product Description
Catalog Number:
AG01FD6X
Chemical Name:
4-Chloro-3-n-hexyloxybenzotrifluoride
CAS Number:
1443345-27-4
Molecular Formula:
C13H16ClF3O
Molecular Weight:
280.7137
IUPAC Name:
1-chloro-2-hexoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C13H16ClF3O/c1-2-3-4-5-8-18-12-9-10(13(15,16)17)6-7-11(12)14/h6-7,9H,2-5,8H2,1H3
InChI Key:
XBTMXXNRYWUWOL-UHFFFAOYSA-N
SMILES:
CCCCCCOc1cc(ccc1Cl)C(F)(F)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.715g/mol
Monoisotopic Mass:
280.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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