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859777-28-9 | 4-Bromobenzyl-(2-chlorophenyl)ether
CAS No: 859777-28-9 Catalog No: AG01EXUW MDL No:
Product Description
Catalog Number:
AG01EXUW
Chemical Name:
4-Bromobenzyl-(2-chlorophenyl)ether
CAS Number:
859777-28-9
Molecular Formula:
C13H10BrClO
Molecular Weight:
297.5749
IUPAC Name:
1-bromo-4-[(2-chlorophenoxy)methyl]benzene
InChI:
InChI=1S/C13H10BrClO/c14-11-7-5-10(6-8-11)9-16-13-4-2-1-3-12(13)15/h1-8H,9H2
InChI Key:
VDSJQIBCCXPLEL-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)COc1ccccc1Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.96g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.576g/mol
Monoisotopic Mass:
295.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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