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13979-59-4 | Phenol, 3,5-dibromo-4-methyl-, 1-acetate
CAS No: 13979-59-4 Catalog No: AG001BQ6 MDL No:
Product Description
Catalog Number:
AG001BQ6
Chemical Name:
Phenol, 3,5-dibromo-4-methyl-, 1-acetate
CAS Number:
13979-59-4
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
IUPAC Name:
(3,5-dibromo-4-methylphenyl) acetate
InChI:
InChI=1S/C9H8Br2O2/c1-5-8(10)3-7(4-9(5)11)13-6(2)12/h3-4H,1-2H3
InChI Key:
BQHYOTCJRNPGGE-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(Br)c(c(c1)Br)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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