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1282933-90-7

1282933-90-7 | 3-Bromo-3',4'-difluorobenzhydrol

CAS No: 1282933-90-7 Catalog No: AG01FEMQ MDL No:

Product Description

Catalog Number:
AG01FEMQ
Chemical Name:
3-Bromo-3',4'-difluorobenzhydrol
CAS Number:
1282933-90-7
Molecular Formula:
C13H9BrF2O
Molecular Weight:
299.1108
IUPAC Name:
(3-bromophenyl)-(3,4-difluorophenyl)methanol
InChI:
InChI=1S/C13H9BrF2O/c14-10-3-1-2-8(6-10)13(17)9-4-5-11(15)12(16)7-9/h1-7,13,17H
InChI Key:
VJMFHOOTFJJLIM-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)C(c1ccc(c(c1)F)F)O

Properties

Complexity:
252  
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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