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23464-45-1 | Benzene, 1-(6-bromohexyl)-4-methoxy-
CAS No: 23464-45-1 Catalog No: AG002NBX MDL No:
Product Description
Catalog Number:
AG002NBX
Chemical Name:
Benzene, 1-(6-bromohexyl)-4-methoxy-
CAS Number:
23464-45-1
Molecular Formula:
C13H19BrO
Molecular Weight:
271.1934
IUPAC Name:
1-(6-bromohexyl)-4-methoxybenzene
InChI:
InChI=1S/C13H19BrO/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h7-10H,2-6,11H2,1H3
InChI Key:
OCSZBAHPQSTCNP-UHFFFAOYSA-N
SMILES:
BrCCCCCCc1ccc(cc1)OC
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.198g/mol
Monoisotopic Mass:
270.062g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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