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Home > Bromides > 1039983-75-9
1039983-75-9 | 4-Bromophenyl-(2-chloro-4-fluorobenzyl)ether
CAS No: 1039983-75-9 Catalog No: AG01FAJ8 MDL No:
Product Description
Catalog Number:
AG01FAJ8
Chemical Name:
4-Bromophenyl-(2-chloro-4-fluorobenzyl)ether
CAS Number:
1039983-75-9
Molecular Formula:
C13H9BrClFO
Molecular Weight:
315.5654
IUPAC Name:
1-[(4-bromophenoxy)methyl]-2-chloro-4-fluorobenzene
InChI:
InChI=1S/C13H9BrClFO/c14-10-2-5-12(6-3-10)17-8-9-1-4-11(16)7-13(9)15/h1-7H,8H2
InChI Key:
UHCKFDIBRAOTNV-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)OCc1ccc(cc1Cl)F
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.951g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.566g/mol
Monoisotopic Mass:
313.951g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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