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168196-87-0 | Benzene, 5-bromo-1,3-dimethyl-2-(phenylmethoxy)-
CAS No: 168196-87-0 Catalog No: AG001XW9 MDL No:MFCD12913972
Product Description
Catalog Number:
AG001XW9
Chemical Name:
Benzene, 5-bromo-1,3-dimethyl-2-(phenylmethoxy)-
CAS Number:
168196-87-0
Molecular Formula:
C15H15BrO
Molecular Weight:
291.1830
MDL Number:
MFCD12913972
IUPAC Name:
5-bromo-1,3-dimethyl-2-phenylmethoxybenzene
InChI:
InChI=1S/C15H15BrO/c1-11-8-14(16)9-12(2)15(11)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChI Key:
GSOXNZBHMRVUDF-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)C)OCc1ccccc1
Properties
Complexity:
213
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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