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1443305-07-4 | 3-Chloro-4-n-pentoxybenzotrifluoride
CAS No: 1443305-07-4 Catalog No: AG01FDJX MDL No:
Product Description
Catalog Number:
AG01FDJX
Chemical Name:
3-Chloro-4-n-pentoxybenzotrifluoride
CAS Number:
1443305-07-4
Molecular Formula:
C12H14ClF3O
Molecular Weight:
266.6872
IUPAC Name:
2-chloro-1-pentoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C12H14ClF3O/c1-2-3-4-7-17-11-6-5-9(8-10(11)13)12(14,15)16/h5-6,8H,2-4,7H2,1H3
InChI Key:
VLIFTQJVLCJSCO-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1Cl)C(F)(F)F
Properties
Complexity:
220
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:
5
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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