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5905-69-1 | 1-Bromo-4-(difluoromethoxy)benzene
CAS No: 5905-69-1 Catalog No: AG003K7I MDL No:MFCD00221465
Product Description
Catalog Number:
AG003K7I
Chemical Name:
1-Bromo-4-(difluoromethoxy)benzene
CAS Number:
5905-69-1
Molecular Formula:
C7H5BrF2O
Molecular Weight:
223.0148
MDL Number:
MFCD00221465
IUPAC Name:
1-bromo-4-(difluoromethoxy)benzene
InChI:
InChI=1S/C7H5BrF2O/c8-5-1-3-6(4-2-5)11-7(9)10/h1-4,7H
InChI Key:
ORIYZUFTROJBQJ-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)Br)F
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.949g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.017g/mol
Monoisotopic Mass:
221.949g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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