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Home > Bromides > 1309933-59-2
1309933-59-2 | 1-Bromo-3-methoxy-4-n-pentyloxybenzene
CAS No: 1309933-59-2 Catalog No: AG01ES4K MDL No:
Product Description
Catalog Number:
AG01ES4K
Chemical Name:
1-Bromo-3-methoxy-4-n-pentyloxybenzene
CAS Number:
1309933-59-2
Molecular Formula:
C12H17BrO2
Molecular Weight:
273.1662
IUPAC Name:
4-bromo-2-methoxy-1-pentoxybenzene
InChI:
InChI=1S/C12H17BrO2/c1-3-4-5-8-15-11-7-6-10(13)9-12(11)14-2/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
WAMLXMFKQMTWHD-UHFFFAOYSA-N
SMILES:
CCCCCOc1ccc(cc1OC)Br
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.17g/mol
Monoisotopic Mass:
272.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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