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Home > Fluorides > 127271-65-2
127271-65-2 | Benzene, 1-fluoro-4-methoxy-2-(trifluoromethyl)-
CAS No: 127271-65-2 Catalog No: AG000WTM MDL No:MFCD01631405
Product Description
Catalog Number:
AG000WTM
Chemical Name:
Benzene, 1-fluoro-4-methoxy-2-(trifluoromethyl)-
CAS Number:
127271-65-2
Molecular Formula:
C8H6F4O
Molecular Weight:
194.1263
MDL Number:
MFCD01631405
IUPAC Name:
1-fluoro-4-methoxy-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F4O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
InChI Key:
VUSCMOUYRPIURE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.129g/mol
Monoisotopic Mass:
194.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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