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889075-65-4 | 4-Bromophenyl-(2,6-dichlorobenzyl)ether
CAS No: 889075-65-4 Catalog No: AG01EYIM MDL No:
Product Description
Catalog Number:
AG01EYIM
Chemical Name:
4-Bromophenyl-(2,6-dichlorobenzyl)ether
CAS Number:
889075-65-4
Molecular Formula:
C13H9BrCl2O
Molecular Weight:
332.0200
IUPAC Name:
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
InChI:
InChI=1S/C13H9BrCl2O/c14-9-4-6-10(7-5-9)17-8-11-12(15)2-1-3-13(11)16/h1-7H,8H2
InChI Key:
NWZUZVQSTNYDIU-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1COc1ccc(cc1)Br)Cl
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.921g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.018g/mol
Monoisotopic Mass:
329.921g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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