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13984-88-8 | 1,4-Naphthalenedione, 2-bromo-3-ethyl-
CAS No: 13984-88-8 Catalog No: AG001BQW MDL No:
Product Description
Catalog Number:
AG001BQW
Chemical Name:
1,4-Naphthalenedione, 2-bromo-3-ethyl-
CAS Number:
13984-88-8
Molecular Formula:
C12H9BrO2
Molecular Weight:
265.1027
IUPAC Name:
2-bromo-3-ethylnaphthalene-1,4-dione
InChI:
InChI=1S/C12H9BrO2/c1-2-7-10(13)12(15)9-6-4-3-5-8(9)11(7)14/h3-6H,2H2,1H3
InChI Key:
DMDUKOTWUUJQSN-UHFFFAOYSA-N
SMILES:
CCC1=C(Br)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.979g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.106g/mol
Monoisotopic Mass:
263.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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