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86845-27-4 | 5-Bromo-2-methylbenzotrifluoride
CAS No: 86845-27-4 Catalog No: AG004MEL MDL No:MFCD01631587
Product Description
Catalog Number:
AG004MEL
Chemical Name:
5-Bromo-2-methylbenzotrifluoride
CAS Number:
86845-27-4
Molecular Formula:
C8H6BrF3
Molecular Weight:
239.0324
MDL Number:
MFCD01631587
IUPAC Name:
4-bromo-1-methyl-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H6BrF3/c1-5-2-3-6(9)4-7(5)8(10,11)12/h2-4H,1H3
InChI Key:
IZFVIEYHUOUPPH-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(F)(F)F)C
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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