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115571-59-0 | Benzene, 1,2-dichloro-3-methyl-4-(trifluoromethyl)-
CAS No: 115571-59-0 Catalog No: AG000G6K MDL No:MFCD06658275
Product Description
Catalog Number:
AG000G6K
Chemical Name:
Benzene, 1,2-dichloro-3-methyl-4-(trifluoromethyl)-
CAS Number:
115571-59-0
Molecular Formula:
C8H5Cl2F3
Molecular Weight:
229.0265
MDL Number:
MFCD06658275
IUPAC Name:
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Cl2F3/c1-4-5(8(11,12)13)2-3-6(9)7(4)10/h2-3H,1H3
InChI Key:
DKEPZNANVYCVOF-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1Cl)C)C(F)(F)F
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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