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1249141-16-9 | 3-Bromobenzyl-(3-fluorophenyl)ether
CAS No: 1249141-16-9 Catalog No: AG01FDUE MDL No:
Product Description
Catalog Number:
AG01FDUE
Chemical Name:
3-Bromobenzyl-(3-fluorophenyl)ether
CAS Number:
1249141-16-9
Molecular Formula:
C13H10BrFO
Molecular Weight:
281.1203
IUPAC Name:
1-bromo-3-[(3-fluorophenoxy)methyl]benzene
InChI:
InChI=1S/C13H10BrFO/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1-8H,9H2
InChI Key:
TVPYDIWAJARXHC-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)OCc1cccc(c1)Br
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.99g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.124g/mol
Monoisotopic Mass:
279.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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