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1039840-88-4 | 3-Bromophenyl-(3,4-dichlorobenzyl)ether
CAS No: 1039840-88-4 Catalog No: AG01FC60 MDL No:
Product Description
Catalog Number:
AG01FC60
Chemical Name:
3-Bromophenyl-(3,4-dichlorobenzyl)ether
CAS Number:
1039840-88-4
Molecular Formula:
C13H9BrCl2O
Molecular Weight:
332.0200
IUPAC Name:
4-[(3-bromophenoxy)methyl]-1,2-dichlorobenzene
InChI:
InChI=1S/C13H9BrCl2O/c14-10-2-1-3-11(7-10)17-8-9-4-5-12(15)13(16)6-9/h1-7H,8H2
InChI Key:
HEGHPRRHDZYSPW-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OCc1ccc(c(c1)Cl)Cl
Properties
Complexity:
240
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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