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101329-30-0 | Oxirane, 2-[[2,6-dibromo-4-(1-methylethyl)phenoxy]methyl]-
CAS No: 101329-30-0 Catalog No: AG00048E MDL No:
Product Description
Catalog Number:
AG00048E
Chemical Name:
Oxirane, 2-[[2,6-dibromo-4-(1-methylethyl)phenoxy]methyl]-
CAS Number:
101329-30-0
Molecular Formula:
C12H14Br2O2
Molecular Weight:
350.0464
IUPAC Name:
2-[(2,6-dibromo-4-propan-2-ylphenoxy)methyl]oxirane
InChI:
InChI=1S/C12H14Br2O2/c1-7(2)8-3-10(13)12(11(14)4-8)16-6-9-5-15-9/h3-4,7,9H,5-6H2,1-2H3
InChI Key:
HGBISNAFZQLYPD-UHFFFAOYSA-N
SMILES:
Brc1cc(cc(c1OCC1CO1)Br)C(C)C
Properties
Complexity:
223
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:
4
Topological Polar Surface Area:
21.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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