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6793-92-6 | 4-Benzyloxybromobenzene
CAS No: 6793-92-6 Catalog No: AG0033X0 MDL No:MFCD00028016
Product Description
Catalog Number:
AG0033X0
Chemical Name:
4-Benzyloxybromobenzene
CAS Number:
6793-92-6
Molecular Formula:
C13H11BrO
Molecular Weight:
263.1298
MDL Number:
MFCD00028016
IUPAC Name:
1-bromo-4-phenylmethoxybenzene
InChI:
InChI=1S/C13H11BrO/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChI Key:
OUQSGILAXUXMGI-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)OCc1ccccc1
EC Number:
614-179-3
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.134g/mol
Monoisotopic Mass:
261.999g/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
Literature
| Title | Journal |
|---|---|
| Aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole and vorozole templates. | ChemMedChem 20110801 |
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