Home Halogens 1-(bromomethyl)-4-methyl-2-(trifluoromethyl)benzene

1-(bromomethyl)-4-methyl-2-(trifluoromethyl)benzene

CAS No.:
261952-18-5
Catalog Number:
AG01DD2S
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
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Product Description
Catalog Number:
AG01DD2S
Chemical Name:
1-(bromomethyl)-4-methyl-2-(trifluoromethyl)benzene
CAS Number:
261952-18-5
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
MDL Number:
MFCD01631611
IUPAC Name:
1-(bromomethyl)-4-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3/c1-6-2-3-7(5-10)8(4-6)9(11,12)13/h2-4H,5H2,1H3
InChI Key:
NMSCRLBUJIWGBQ-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1C(F)(F)F)C
Properties
Complexity:
167  
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:
1  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties