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1099597-62-2 | 2,6-Difluoro-3-methylbenzotrifluoride
CAS No: 1099597-62-2 Catalog No: AG01FCVM MDL No:MFCD11226679
Product Description
Catalog Number:
AG01FCVM
Chemical Name:
2,6-Difluoro-3-methylbenzotrifluoride
CAS Number:
1099597-62-2
Molecular Formula:
C8H5F5
Molecular Weight:
196.1173
MDL Number:
MFCD11226679
IUPAC Name:
1,3-difluoro-4-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5F5/c1-4-2-3-5(9)6(7(4)10)8(11,12)13/h2-3H,1H3
InChI Key:
ZDLOUOMJKONEAP-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1C(F)(F)F)F)C
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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