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262587-05-3 | Benzene, 1-bromo-3-(difluoromethoxy)-
CAS No: 262587-05-3 Catalog No: AG002SHB MDL No:MFCD00236233
Product Description
Catalog Number:
AG002SHB
Chemical Name:
Benzene, 1-bromo-3-(difluoromethoxy)-
CAS Number:
262587-05-3
Molecular Formula:
C7H5BrF2O
Molecular Weight:
223.0148
MDL Number:
MFCD00236233
IUPAC Name:
1-bromo-3-(difluoromethoxy)benzene
InChI:
InChI=1S/C7H5BrF2O/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4,7H
InChI Key:
NWBDGKNKAFGQQL-UHFFFAOYSA-N
SMILES:
FC(Oc1cccc(c1)Br)F
Properties
Complexity:
121
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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