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139609-03-3 | Oxirane, 2-(1-bromoethyl)-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
CAS No: 139609-03-3 Catalog No: AG001BDO MDL No:
Product Description
Catalog Number:
AG001BDO
Chemical Name:
Oxirane, 2-(1-bromoethyl)-3-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
CAS Number:
139609-03-3
Molecular Formula:
C13H21BrO
Molecular Weight:
273.2092
IUPAC Name:
2-(1-bromoethyl)-3-(2,6,6-trimethylcyclohex-2-en-1-yl)oxirane
InChI:
InChI=1S/C13H21BrO/c1-8-6-5-7-13(3,4)10(8)12-11(15-12)9(2)14/h6,9-12H,5,7H2,1-4H3
InChI Key:
UOMOACBUSCKBDG-UHFFFAOYSA-N
SMILES:
CC1=CCCC(C1C1OC1C(Br)C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.078g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.214g/mol
Monoisotopic Mass:
272.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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