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13997-74-5 | Phenol, 4-bromo-2-(2-propen-1-yl)-
CAS No: 13997-74-5 Catalog No: AG001BWA MDL No:MFCD00297344
Product Description
Catalog Number:
AG001BWA
Chemical Name:
Phenol, 4-bromo-2-(2-propen-1-yl)-
CAS Number:
13997-74-5
Molecular Formula:
C9H9BrO
Molecular Weight:
213.0712
MDL Number:
MFCD00297344
IUPAC Name:
4-bromo-2-prop-2-enylphenol
InChI:
InChI=1S/C9H9BrO/c1-2-3-7-6-8(10)4-5-9(7)11/h2,4-6,11H,1,3H2
InChI Key:
SWBCZCKHMGPYIP-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1CC=C)Br
NSC Number:
87385
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.984g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.074g/mol
Monoisotopic Mass:
211.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Antioxidant and prooxidant action of eugenol-related compounds and their cytotoxicity. | Toxicology 20020801 |
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