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121793-12-2 | Benzene, 2-bromo-4-methyl-1-(trifluoromethyl)-
CAS No: 121793-12-2 Catalog No: AG00161X MDL No:MFCD11226554
Product Description
Catalog Number:
AG00161X
Chemical Name:
Benzene, 2-bromo-4-methyl-1-(trifluoromethyl)-
CAS Number:
121793-12-2
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD11226554
IUPAC Name:
2-bromo-4-methyl-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c1-5-2-3-6(7(9)4-5)8(10,11)12/h2-4H,1H3
InChI Key:
ILHMYYRIQKCMIZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Br)C(F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.035g/mol
Monoisotopic Mass:
237.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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