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1099597-48-4 | 6-Chloro-2-fluoro-3-methylbenzotrifluoride
CAS No: 1099597-48-4 Catalog No: AG01FB5G MDL No:MFCD11226667
Product Description
Catalog Number:
AG01FB5G
Chemical Name:
6-Chloro-2-fluoro-3-methylbenzotrifluoride
CAS Number:
1099597-48-4
Molecular Formula:
C8H5ClF4
Molecular Weight:
212.5719
MDL Number:
MFCD11226667
IUPAC Name:
1-chloro-3-fluoro-4-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5ClF4/c1-4-2-3-5(9)6(7(4)10)8(11,12)13/h2-3H,1H3
InChI Key:
OXDBCVFGACYJMJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1C(F)(F)F)F)C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.572g/mol
Monoisotopic Mass:
212.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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