Home Halogens 2-Bromo-6-methylbenzotrifluoride

2-Bromo-6-methylbenzotrifluoride

CAS No.:
944268-56-8
Catalog Number:
AG00II5F
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
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Product Description
Catalog Number:
AG00II5F
Chemical Name:
2-Bromo-6-methylbenzotrifluoride
CAS Number:
944268-56-8
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD01631583
IUPAC Name:
1-bromo-3-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c1-5-3-2-4-6(9)7(5)8(10,11)12/h2-4H,1H3
InChI Key:
BGTQSQRDRWEFPU-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C(F)(F)F)Br
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  
Properties