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Home > Bromides > 1308631-97-1
1308631-97-1 | 3-Bromobenzyl-(2,4-difluorophenyl)ether
CAS No: 1308631-97-1 Catalog No: AG01FCAV MDL No:
Product Description
Catalog Number:
AG01FCAV
Chemical Name:
3-Bromobenzyl-(2,4-difluorophenyl)ether
CAS Number:
1308631-97-1
Molecular Formula:
C13H9BrF2O
Molecular Weight:
299.1108
IUPAC Name:
1-[(3-bromophenyl)methoxy]-2,4-difluorobenzene
InChI:
InChI=1S/C13H9BrF2O/c14-10-3-1-2-9(6-10)8-17-13-5-4-11(15)7-12(13)16/h1-7H,8H2
InChI Key:
DLHJAUYMVVWLOO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)F)OCc1cccc(c1)Br
Properties
Complexity:
240
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:
0
Isotope Atom Count:
0
Molecular Weight:
299.115g/mol
Monoisotopic Mass:
297.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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