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20600-29-7 | Benzene, 1-bromo-3-(phenoxymethyl)-
CAS No: 20600-29-7 Catalog No: AG002AGR MDL No:MFCD07782514
Product Description
Catalog Number:
AG002AGR
Chemical Name:
Benzene, 1-bromo-3-(phenoxymethyl)-
CAS Number:
20600-29-7
Molecular Formula:
C13H11BrO
Molecular Weight:
263.1298
MDL Number:
MFCD07782514
IUPAC Name:
1-bromo-3-(phenoxymethyl)benzene
InChI:
InChI=1S/C13H11BrO/c14-12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9H,10H2
InChI Key:
ZTDWIISWPAVUOU-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COc1ccccc1
Properties
Complexity:
177
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
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