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167782-30-1 | Phenol, 2,6-dibromo-4-(1-methylethenyl)-
CAS No: 167782-30-1 Catalog No: AG001XL9 MDL No:
Product Description
Catalog Number:
AG001XL9
Chemical Name:
Phenol, 2,6-dibromo-4-(1-methylethenyl)-
CAS Number:
167782-30-1
Molecular Formula:
C9H8Br2O
Molecular Weight:
291.9672
IUPAC Name:
2,6-dibromo-4-prop-1-en-2-ylphenol
InChI:
InChI=1S/C9H8Br2O/c1-5(2)6-3-7(10)9(12)8(11)4-6/h3-4,12H,1H2,2H3
InChI Key:
ZILIYVDICJLNDP-UHFFFAOYSA-N
SMILES:
CC(=C)c1cc(Br)c(c(c1)Br)O
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.892g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.97g/mol
Monoisotopic Mass:
289.894g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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