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Home > Fluorides > 1214351-59-3
1214351-59-3 | Benzene, 1-fluoro-2-methoxy-3-(trifluoromethyl)-
CAS No: 1214351-59-3 Catalog No: AG0014W8 MDL No:MFCD13185639
Product Description
Catalog Number:
AG0014W8
Chemical Name:
Benzene, 1-fluoro-2-methoxy-3-(trifluoromethyl)-
CAS Number:
1214351-59-3
Molecular Formula:
C8H6F4O
Molecular Weight:
194.1263
MDL Number:
MFCD13185639
IUPAC Name:
1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F4O/c1-13-7-5(8(10,11)12)3-2-4-6(7)9/h2-4H,1H3
InChI Key:
BMUWZZRHXSJWPG-UHFFFAOYSA-N
SMILES:
COc1c(F)cccc1C(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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