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113447-59-9 | Oxirane, 2-[(3,5-dibromo-2,4,6-trimethylphenoxy)methyl]-
CAS No: 113447-59-9 Catalog No: AG0008MW MDL No:
Product Description
Catalog Number:
AG0008MW
Chemical Name:
Oxirane, 2-[(3,5-dibromo-2,4,6-trimethylphenoxy)methyl]-
CAS Number:
113447-59-9
Molecular Formula:
C12H14Br2O2
Molecular Weight:
350.0464
IUPAC Name:
2-[(3,5-dibromo-2,4,6-trimethylphenoxy)methyl]oxirane
InChI:
InChI=1S/C12H14Br2O2/c1-6-10(13)7(2)12(8(3)11(6)14)16-5-9-4-15-9/h9H,4-5H2,1-3H3
InChI Key:
HOELKXTXPJQPDG-UHFFFAOYSA-N
SMILES:
Cc1c(OCC2OC2)c(C)c(c(c1Br)C)Br
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.934g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.05g/mol
Monoisotopic Mass:
347.936g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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