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173537-19-4 | Phenol, 4-bromo-2-(2-cyclohexen-1-yl)-
CAS No: 173537-19-4 Catalog No: AG001Z00 MDL No:
Product Description
Catalog Number:
AG001Z00
Chemical Name:
Phenol, 4-bromo-2-(2-cyclohexen-1-yl)-
CAS Number:
173537-19-4
Molecular Formula:
C12H13BrO
Molecular Weight:
253.1350
IUPAC Name:
4-bromo-2-cyclohex-2-en-1-ylphenol
InChI:
InChI=1S/C12H13BrO/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/h2,4,6-9,14H,1,3,5H2
InChI Key:
MUCLLWYLRYOGPY-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C1CCCC=C1)Br
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.139g/mol
Monoisotopic Mass:
252.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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