Home Halogens 5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene

5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene

CAS No.:
80245-29-0
Catalog Number:
AG00G9XV
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
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Product Description
Catalog Number:
AG00G9XV
Chemical Name:
5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene
CAS Number:
80245-29-0
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
MDL Number:
MFCD29044867
IUPAC Name:
5-bromo-1,2-dimethyl-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3/c1-5-3-7(10)4-8(6(5)2)9(11,12)13/h3-4H,1-2H3
InChI Key:
AINASRYWSBKQSE-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)C(F)(F)F)C
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.976g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.062g/mol
Monoisotopic Mass:
251.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties