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1270974-67-8 | 4-Bromobenzyl-(2,3-dichlorophenyl)ether
CAS No: 1270974-67-8 Catalog No: AG01FCA5 MDL No:
Product Description
Catalog Number:
AG01FCA5
Chemical Name:
4-Bromobenzyl-(2,3-dichlorophenyl)ether
CAS Number:
1270974-67-8
Molecular Formula:
C13H9BrCl2O
Molecular Weight:
332.0200
IUPAC Name:
1-[(4-bromophenyl)methoxy]-2,3-dichlorobenzene
InChI:
InChI=1S/C13H9BrCl2O/c14-10-6-4-9(5-7-10)8-17-12-3-1-2-11(15)13(12)16/h1-7H,8H2
InChI Key:
RRBFUCJNBORCCJ-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)COc1cccc(c1Cl)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:
5.3
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