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Home > Bromides > 1017779-42-8
1017779-42-8 | Benzene, 1-(bromomethyl)-2-(difluoromethoxy)-4-fluoro-
CAS No: 1017779-42-8 Catalog No: AG0005HF MDL No:MFCD09832363
Product Description
Catalog Number:
AG0005HF
Chemical Name:
Benzene, 1-(bromomethyl)-2-(difluoromethoxy)-4-fluoro-
CAS Number:
1017779-42-8
Molecular Formula:
C8H6BrF3O
Molecular Weight:
255.0318
MDL Number:
MFCD09832363
IUPAC Name:
1-(bromomethyl)-2-(difluoromethoxy)-4-fluorobenzene
InChI:
InChI=1S/C8H6BrF3O/c9-4-5-1-2-6(10)3-7(5)13-8(11)12/h1-3,8H,4H2
InChI Key:
IGODPIYHAUGSCK-UHFFFAOYSA-N
SMILES:
BrCc1ccc(cc1OC(F)F)F
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.955g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.034g/mol
Monoisotopic Mass:
253.955g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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