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Home > Bromides > 1041518-35-7
1041518-35-7 | 2-Bromophenyl-(2-chloro-4-fluorobenzyl)ether
CAS No: 1041518-35-7 Catalog No: AG01FAJA MDL No:
Product Description
Catalog Number:
AG01FAJA
Chemical Name:
2-Bromophenyl-(2-chloro-4-fluorobenzyl)ether
CAS Number:
1041518-35-7
Molecular Formula:
C13H9BrClFO
Molecular Weight:
315.5654
IUPAC Name:
1-[(2-bromophenoxy)methyl]-2-chloro-4-fluorobenzene
InChI:
InChI=1S/C13H9BrClFO/c14-11-3-1-2-4-13(11)17-8-9-5-6-10(16)7-12(9)15/h1-7H,8H2
InChI Key:
VJJNRQDUNNLQTO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)Cl)COc1ccccc1Br
Properties
Complexity:
242
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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