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1378816-92-2 | 4-Chloro-3-ethoxybenzotrifluoride
CAS No: 1378816-92-2 Catalog No: AG01FEER MDL No:
Product Description
Catalog Number:
AG01FEER
Chemical Name:
4-Chloro-3-ethoxybenzotrifluoride
CAS Number:
1378816-92-2
Molecular Formula:
C9H8ClF3O
Molecular Weight:
224.6074
IUPAC Name:
1-chloro-2-ethoxy-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8ClF3O/c1-2-14-8-5-6(9(11,12)13)3-4-7(8)10/h3-5H,2H2,1H3
InChI Key:
AWLMXPCCKYZLDV-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1Cl)C(F)(F)F
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.022g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.607g/mol
Monoisotopic Mass:
224.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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