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1272202-25-1 | 4-Bromo-3',4'-difluorobenzhydrol
CAS No: 1272202-25-1 Catalog No: AG01FEMK MDL No:
Product Description
Catalog Number:
AG01FEMK
Chemical Name:
4-Bromo-3',4'-difluorobenzhydrol
CAS Number:
1272202-25-1
Molecular Formula:
C13H9BrF2O
Molecular Weight:
299.1108
IUPAC Name:
(4-bromophenyl)-(3,4-difluorophenyl)methanol
InChI:
InChI=1S/C13H9BrF2O/c14-10-4-1-8(2-5-10)13(17)9-3-6-11(15)12(16)7-9/h1-7,13,17H
InChI Key:
YDYHOEFIAYOJQK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(c1ccc(c(c1)F)F)O
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.115g/mol
Monoisotopic Mass:
297.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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