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115571-58-9 | Benzene, 2,3-dichloro-1-methyl-4-(trifluoromethyl)-
CAS No: 115571-58-9 Catalog No: AG000G6L MDL No:MFCD06658274
Product Description
Catalog Number:
AG000G6L
Chemical Name:
Benzene, 2,3-dichloro-1-methyl-4-(trifluoromethyl)-
CAS Number:
115571-58-9
Molecular Formula:
C8H5Cl2F3
Molecular Weight:
229.0265
MDL Number:
MFCD06658274
IUPAC Name:
2,3-dichloro-1-methyl-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Cl2F3/c1-4-2-3-5(8(11,12)13)7(10)6(4)9/h2-3H,1H3
InChI Key:
NSMXZYCKOJMQON-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1Cl)Cl)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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