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Home > Bromides > 1249718-61-3
1249718-61-3 | 3-Bromobenzyl-(2-fluorophenyl)ether
CAS No: 1249718-61-3 Catalog No: AG01FDUH MDL No:
Product Description
Catalog Number:
AG01FDUH
Chemical Name:
3-Bromobenzyl-(2-fluorophenyl)ether
CAS Number:
1249718-61-3
Molecular Formula:
C13H10BrFO
Molecular Weight:
281.1203
IUPAC Name:
1-bromo-3-[(2-fluorophenoxy)methyl]benzene
InChI:
InChI=1S/C13H10BrFO/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8H,9H2
InChI Key:
BUOXHMSZENWCIN-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COc1ccccc1F
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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