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115467-07-7 | Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethoxy)-
CAS No: 115467-07-7 Catalog No: AG000G11 MDL No:MFCD03412225
Product Description
Catalog Number:
AG000G11
Chemical Name:
Benzene, 5-bromo-1,3-difluoro-2-(trifluoromethoxy)-
CAS Number:
115467-07-7
Molecular Formula:
C7H2BrF5O
Molecular Weight:
276.9862
MDL Number:
MFCD03412225
IUPAC Name:
5-bromo-1,3-difluoro-2-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H2BrF5O/c8-3-1-4(9)6(5(10)2-3)14-7(11,12)13/h1-2H
InChI Key:
ORHCJZZKAUAZDR-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(c(c1)F)OC(F)(F)F
EC Number:
601-363-3
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.921g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.988g/mol
Monoisotopic Mass:
275.921g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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