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231953-31-4 | Benzene, 1,3-dibromo-2-methyl-5-(trifluoromethyl)-
CAS No: 231953-31-4 Catalog No: AG002MHB MDL No:
Product Description
Catalog Number:
AG002MHB
Chemical Name:
Benzene, 1,3-dibromo-2-methyl-5-(trifluoromethyl)-
CAS Number:
231953-31-4
Molecular Formula:
C8H5Br2F3
Molecular Weight:
317.9285
IUPAC Name:
1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5Br2F3/c1-4-6(9)2-5(3-7(4)10)8(11,12)13/h2-3H,1H3
InChI Key:
PYNWLQMFGMGAHM-UHFFFAOYSA-N
SMILES:
Cc1c(Br)cc(cc1Br)C(F)(F)F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.869g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.931g/mol
Monoisotopic Mass:
315.871g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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