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88645-44-7 | 1,4-Naphthalenedione, 2,3-dibromo-5-ethyl-
CAS No: 88645-44-7 Catalog No: AG0049DU MDL No:
Product Description
Catalog Number:
AG0049DU
Chemical Name:
1,4-Naphthalenedione, 2,3-dibromo-5-ethyl-
CAS Number:
88645-44-7
Molecular Formula:
C12H8Br2O2
Molecular Weight:
343.9987
IUPAC Name:
2,3-dibromo-5-ethylnaphthalene-1,4-dione
InChI:
InChI=1S/C12H8Br2O2/c1-2-6-4-3-5-7-8(6)12(16)10(14)9(13)11(7)15/h3-5H,2H2,1H3
InChI Key:
XKKPWZSZNHFSGA-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1C(=O)C(=C(C2=O)Br)Br
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.887g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.002g/mol
Monoisotopic Mass:
341.889g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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