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1000339-60-5 | Benzene, 1-(chloromethyl)-2-fluoro-4-(trifluoromethyl)-
CAS No: 1000339-60-5 Catalog No: AG0000DI MDL No:MFCD09749659
Product Description
Catalog Number:
AG0000DI
Chemical Name:
Benzene, 1-(chloromethyl)-2-fluoro-4-(trifluoromethyl)-
CAS Number:
1000339-60-5
Molecular Formula:
C8H5ClF4
Molecular Weight:
212.5719
MDL Number:
MFCD09749659
IUPAC Name:
1-(chloromethyl)-2-fluoro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5ClF4/c9-4-5-1-2-6(3-7(5)10)8(11,12)13/h1-3H,4H2
InChI Key:
OOGWHXAQEMXPLR-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1F)C(F)(F)F
Properties
Complexity:
168
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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