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181806-67-7 | Benzene, 5-bromo-2-(difluoromethoxy)-1,3-difluoro-
CAS No: 181806-67-7 Catalog No: AG00233V MDL No:MFCD17012938
Product Description
Catalog Number:
AG00233V
Chemical Name:
Benzene, 5-bromo-2-(difluoromethoxy)-1,3-difluoro-
CAS Number:
181806-67-7
Molecular Formula:
C7H3BrF4O
Molecular Weight:
258.9957
MDL Number:
MFCD17012938
IUPAC Name:
5-bromo-2-(difluoromethoxy)-1,3-difluorobenzene
InChI:
InChI=1S/C7H3BrF4O/c8-3-1-4(9)6(5(10)2-3)13-7(11)12/h1-2,7H
InChI Key:
ZZIBINAQRAEVEO-UHFFFAOYSA-N
SMILES:
FC(Oc1c(F)cc(cc1F)Br)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.93g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.998g/mol
Monoisotopic Mass:
257.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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