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Home > Fluorides > 1263376-06-2
1263376-06-2 | 4,5-Difluoro-2-methylbenzotrifluoride
CAS No: 1263376-06-2 Catalog No: AG01FCZU MDL No:MFCD18379800
Product Description
Catalog Number:
AG01FCZU
Chemical Name:
4,5-Difluoro-2-methylbenzotrifluoride
CAS Number:
1263376-06-2
Molecular Formula:
C8H5F5
Molecular Weight:
196.1173
MDL Number:
MFCD18379800
IUPAC Name:
1,2-difluoro-4-methyl-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5F5/c1-4-2-6(9)7(10)3-5(4)8(11,12)13/h2-3H,1H3
InChI Key:
WRFHKNNJGVHNFX-UHFFFAOYSA-N
SMILES:
Cc1cc(F)c(cc1C(F)(F)F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.12g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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