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192654-45-8 | 1,4-Naphthalenedione, 2,3-dibromo-5-methyl-
CAS No: 192654-45-8 Catalog No: AG002G70 MDL No:
Product Description
Catalog Number:
AG002G70
Chemical Name:
1,4-Naphthalenedione, 2,3-dibromo-5-methyl-
CAS Number:
192654-45-8
Molecular Formula:
C11H6Br2O2
Molecular Weight:
329.9721
IUPAC Name:
2,3-dibromo-5-methylnaphthalene-1,4-dione
InChI:
InChI=1S/C11H6Br2O2/c1-5-3-2-4-6-7(5)11(15)9(13)8(12)10(6)14/h2-4H,1H3
InChI Key:
TZJASHIDYNOMFL-UHFFFAOYSA-N
SMILES:
O=C1C(=C(Br)C(=O)c2c1cccc2C)Br
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.871g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.975g/mol
Monoisotopic Mass:
327.873g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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