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116070-36-1 | Benzene, 1-(bromomethyl)-3-methyl-5-(trifluoromethyl)-
CAS No: 116070-36-1 Catalog No: AG000BJ6 MDL No:MFCD01631610
Product Description
Catalog Number:
AG000BJ6
Chemical Name:
Benzene, 1-(bromomethyl)-3-methyl-5-(trifluoromethyl)-
CAS Number:
116070-36-1
Molecular Formula:
C9H8BrF3
Molecular Weight:
253.0590
MDL Number:
MFCD01631610
IUPAC Name:
1-(bromomethyl)-3-methyl-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H8BrF3/c1-6-2-7(5-10)4-8(3-6)9(11,12)13/h2-4H,5H2,1H3
InChI Key:
GZJBZDJGNUXMNN-UHFFFAOYSA-N
SMILES:
BrCc1cc(C)cc(c1)C(F)(F)F
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
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