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1309933-22-9 | 3-Bromobenzyl-(2,3-dimethylphenyl)ether
CAS No: 1309933-22-9 Catalog No: AG01FCB1 MDL No:
Product Description
Catalog Number:
AG01FCB1
Chemical Name:
3-Bromobenzyl-(2,3-dimethylphenyl)ether
CAS Number:
1309933-22-9
Molecular Formula:
C15H15BrO
Molecular Weight:
291.1830
IUPAC Name:
1-[(3-bromophenyl)methoxy]-2,3-dimethylbenzene
InChI:
InChI=1S/C15H15BrO/c1-11-5-3-8-15(12(11)2)17-10-13-6-4-7-14(16)9-13/h3-9H,10H2,1-2H3
InChI Key:
BEDAHSNECPEUNY-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COc1cccc(c1C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.188g/mol
Monoisotopic Mass:
290.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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