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Home > Bromides > 1261513-55-6
1261513-55-6 | Phenol, 4-bromo-3-(difluoromethyl)-
CAS No: 1261513-55-6 Catalog No: AG000RTD MDL No:MFCD18391153
Product Description
Catalog Number:
AG000RTD
Chemical Name:
Phenol, 4-bromo-3-(difluoromethyl)-
CAS Number:
1261513-55-6
Molecular Formula:
C7H5BrF2O
Molecular Weight:
223.0148
MDL Number:
MFCD18391153
IUPAC Name:
4-bromo-3-(difluoromethyl)phenol
InChI:
InChI=1S/C7H5BrF2O/c8-6-2-1-4(11)3-5(6)7(9)10/h1-3,7,11H
InChI Key:
OIIMOBHFWYLZBY-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(F)F)Br
Properties
Complexity:
132
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:
1
Isotope Atom Count:
0
Molecular Weight:
223.017g/mol
Monoisotopic Mass:
221.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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