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85684-64-6 | 1-(Bromomethyl)-2-(difluoromethoxy)benzene
CAS No: 85684-64-6 Catalog No: AG004T50 MDL No:MFCD00190103
Product Description
Catalog Number:
AG004T50
Chemical Name:
1-(Bromomethyl)-2-(difluoromethoxy)benzene
CAS Number:
85684-64-6
Molecular Formula:
C8H7BrF2O
Molecular Weight:
237.0414
MDL Number:
MFCD00190103
IUPAC Name:
1-(bromomethyl)-2-(difluoromethoxy)benzene
InChI:
InChI=1S/C8H7BrF2O/c9-5-6-3-1-2-4-7(6)12-8(10)11/h1-4,8H,5H2
InChI Key:
JSYYKHKAGPBIHF-UHFFFAOYSA-N
SMILES:
BrCc1ccccc1OC(F)F
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.965g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.044g/mol
Monoisotopic Mass:
235.965g/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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