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123413-30-9 | Benzene, 2,4-dimethyl-1-(trichloromethyl)-
CAS No: 123413-30-9 Catalog No: AG000KK5 MDL No:
Product Description
Catalog Number:
AG000KK5
Chemical Name:
Benzene, 2,4-dimethyl-1-(trichloromethyl)-
CAS Number:
123413-30-9
Molecular Formula:
C9H9Cl3
Molecular Weight:
223.5268
IUPAC Name:
2,4-dimethyl-1-(trichloromethyl)benzene
InChI:
InChI=1S/C9H9Cl3/c1-6-3-4-8(7(2)5-6)9(10,11)12/h3-5H,1-2H3
InChI Key:
PLXYUWIGQSPQDQ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)C(Cl)(Cl)Cl
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.977g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.521g/mol
Monoisotopic Mass:
221.977g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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