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141773-79-7 | Benzene, 1-[(1E)-6-bromo-1-hexen-1-yl]-4-methoxy-
CAS No: 141773-79-7 Catalog No: AG001H1D MDL No:
Product Description
Catalog Number:
AG001H1D
Chemical Name:
Benzene, 1-[(1E)-6-bromo-1-hexen-1-yl]-4-methoxy-
CAS Number:
141773-79-7
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
IUPAC Name:
1-(6-bromohex-1-enyl)-4-methoxybenzene
InChI:
InChI=1S/C13H17BrO/c1-15-13-9-7-12(8-10-13)6-4-2-3-5-11-14/h4,6-10H,2-3,5,11H2,1H3
InChI Key:
JJVIHVROEQJOHM-UHFFFAOYSA-N
SMILES:
BrCCCC/C=C/c1ccc(cc1)OC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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