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Home > Fluorides > 1429056-37-0
1429056-37-0 | 3,5-Difluoro-4-trifluoromethylanisole
CAS No: 1429056-37-0 Catalog No: AG01FD3Y MDL No:MFCD22648268
Product Description
Catalog Number:
AG01FD3Y
Chemical Name:
3,5-Difluoro-4-trifluoromethylanisole
CAS Number:
1429056-37-0
Molecular Formula:
C8H5F5O
Molecular Weight:
212.1167
MDL Number:
MFCD22648268
IUPAC Name:
1,3-difluoro-5-methoxy-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5F5O/c1-14-4-2-5(9)7(6(10)3-4)8(11,12)13/h2-3H,1H3
InChI Key:
DDQXMVYPCHPCDD-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(c(c1)F)C(F)(F)F
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.119g/mol
Monoisotopic Mass:
212.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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