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Home > Fluorides > 1214331-63-1
1214331-63-1 | Benzene, 2-fluoro-1-methyl-3-(trifluoromethyl)-
CAS No: 1214331-63-1 Catalog No: AG0014S7 MDL No:MFCD13185663
Product Description
Catalog Number:
AG0014S7
Chemical Name:
Benzene, 2-fluoro-1-methyl-3-(trifluoromethyl)-
CAS Number:
1214331-63-1
Molecular Formula:
C8H6F4
Molecular Weight:
178.1269
MDL Number:
MFCD13185663
IUPAC Name:
2-fluoro-1-methyl-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6F4/c1-5-3-2-4-6(7(5)9)8(10,11)12/h2-4H,1H3
InChI Key:
JQJROTAJVIREBJ-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1F)C(F)(F)F
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.13g/mol
Monoisotopic Mass:
178.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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