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115695-65-3 | 1,4-Epoxynaphthalene, 6,7-dibromo-1,4-dihydro-5,8-dimethyl-
CAS No: 115695-65-3 Catalog No: AG000GR2 MDL No:
Product Description
Catalog Number:
AG000GR2
Chemical Name:
1,4-Epoxynaphthalene, 6,7-dibromo-1,4-dihydro-5,8-dimethyl-
CAS Number:
115695-65-3
Molecular Formula:
C12H10Br2O
Molecular Weight:
330.0152
IUPAC Name:
4,5-dibromo-3,6-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene
InChI:
InChI=1S/C12H10Br2O/c1-5-9-7-3-4-8(15-7)10(9)6(2)12(14)11(5)13/h3-4,7-8H,1-2H3
InChI Key:
COYWBPBXQOHQAB-UHFFFAOYSA-N
SMILES:
Cc1c2C3C=CC(c2c(c(c1Br)Br)C)O3
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.908g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.019g/mol
Monoisotopic Mass:
327.91g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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