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115571-61-4 | Benzene, 1,5-dichloro-2-methyl-4-(trifluoromethyl)-
CAS No: 115571-61-4 Catalog No: AG000G6J MDL No:MFCD00190113
Product Description
Catalog Number:
AG000G6J
Chemical Name:
Benzene, 1,5-dichloro-2-methyl-4-(trifluoromethyl)-
CAS Number:
115571-61-4
Molecular Formula:
C8H5Cl2F3
Molecular Weight:
229.0265
MDL Number:
MFCD00190113
IUPAC Name:
1,5-dichloro-2-methyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Cl2F3/c1-4-2-5(8(11,12)13)7(10)3-6(4)9/h2-3H,1H3
InChI Key:
IEODOJMCKLXBMU-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(cc1C(F)(F)F)C
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.972g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.023g/mol
Monoisotopic Mass:
227.972g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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