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Home > Bromides > 1443311-80-5
1443311-80-5 | 3-Bromo-3',4'-difluoro-5'-methoxybiphenyl
CAS No: 1443311-80-5 Catalog No: AG01FBNA MDL No:
Product Description
Catalog Number:
AG01FBNA
Chemical Name:
3-Bromo-3',4'-difluoro-5'-methoxybiphenyl
CAS Number:
1443311-80-5
Molecular Formula:
C13H9BrF2O
Molecular Weight:
299.1108
IUPAC Name:
5-(3-bromophenyl)-1,2-difluoro-3-methoxybenzene
InChI:
InChI=1S/C13H9BrF2O/c1-17-12-7-9(6-11(15)13(12)16)8-3-2-4-10(14)5-8/h2-7H,1H3
InChI Key:
XAPTUKSQJWVVJU-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1F)F)c1cccc(c1)Br
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:
0
Isotope Atom Count:
0
Molecular Weight:
299.115g/mol
Monoisotopic Mass:
297.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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