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Home > Bromides > 1275514-99-2
1275514-99-2 | 4-Bromobenzyl-(3,4-dichlorophenyl)ether
CAS No: 1275514-99-2 Catalog No: AG01FCAF MDL No:
Product Description
Catalog Number:
AG01FCAF
Chemical Name:
4-Bromobenzyl-(3,4-dichlorophenyl)ether
CAS Number:
1275514-99-2
Molecular Formula:
C13H9BrCl2O
Molecular Weight:
332.0200
IUPAC Name:
4-[(4-bromophenyl)methoxy]-1,2-dichlorobenzene
InChI:
InChI=1S/C13H9BrCl2O/c14-10-3-1-9(2-4-10)8-17-11-5-6-12(15)13(16)7-11/h1-7H,8H2
InChI Key:
KCXOGHBDLRVKCA-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)COc1ccc(c(c1)Cl)Cl
Properties
Complexity:
232
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:
5.4
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