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14469-84-2 | Benzene, 1-(5-bromopentyl)-4-methoxy-
CAS No: 14469-84-2 Catalog No: AG001K0M MDL No:MFCD01075176
Product Description
Catalog Number:
AG001K0M
Chemical Name:
Benzene, 1-(5-bromopentyl)-4-methoxy-
CAS Number:
14469-84-2
Molecular Formula:
C12H17BrO
Molecular Weight:
257.1668
MDL Number:
MFCD01075176
IUPAC Name:
1-(5-bromopentyl)-4-methoxybenzene
InChI:
InChI=1S/C12H17BrO/c1-14-12-8-6-11(7-9-12)5-3-2-4-10-13/h6-9H,2-5,10H2,1H3
InChI Key:
INBIEXZCBBDGHT-UHFFFAOYSA-N
SMILES:
BrCCCCCc1ccc(cc1)OC
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.171g/mol
Monoisotopic Mass:
256.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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