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1249769-70-7 | 3-Bromobenzyl cyclopentyl ether
CAS No: 1249769-70-7 Catalog No: AG01FEUN MDL No:
Product Description
Catalog Number:
AG01FEUN
Chemical Name:
3-Bromobenzyl cyclopentyl ether
CAS Number:
1249769-70-7
Molecular Formula:
C12H15BrO
Molecular Weight:
255.1509
IUPAC Name:
1-bromo-3-(cyclopentyloxymethyl)benzene
InChI:
InChI=1S/C12H15BrO/c13-11-5-3-4-10(8-11)9-14-12-6-1-2-7-12/h3-5,8,12H,1-2,6-7,9H2
InChI Key:
OQIINGGDWDBKDX-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)COC1CCCC1
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.155g/mol
Monoisotopic Mass:
254.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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