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126399-11-9 | Benzene, [(2S,3S,4E)-6-bromo-2-methoxy-3,5-dimethyl-4-hexen-1-yl]-
CAS No: 126399-11-9 Catalog No: AG000SQA MDL No:
Product Description
Catalog Number:
AG000SQA
Chemical Name:
Benzene, [(2S,3S,4E)-6-bromo-2-methoxy-3,5-dimethyl-4-hexen-1-yl]-
CAS Number:
126399-11-9
Molecular Formula:
C15H21BrO
Molecular Weight:
297.2306
IUPAC Name:
(6-bromo-2-methoxy-3,5-dimethylhex-4-enyl)benzene
InChI:
InChI=1S/C15H21BrO/c1-12(11-16)9-13(2)15(17-3)10-14-7-5-4-6-8-14/h4-9,13,15H,10-11H2,1-3H3
InChI Key:
NBLKEFCHAAMJPB-UHFFFAOYSA-N
SMILES:
CO[C@H]([C@H](/C=C(/CBr)\C)C)Cc1ccccc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.236g/mol
Monoisotopic Mass:
296.078g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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