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30413-69-5 | 1,4-Naphthalenedione, 8-amino-2,6-dibromo-5-hydroxy-
CAS No: 30413-69-5 Catalog No: AG003021 MDL No:
Product Description
Catalog Number:
AG003021
Chemical Name:
1,4-Naphthalenedione, 8-amino-2,6-dibromo-5-hydroxy-
CAS Number:
30413-69-5
Molecular Formula:
C10H5Br2NO3
Molecular Weight:
346.9596
IUPAC Name:
8-amino-2,6-dibromo-5-hydroxynaphthalene-1,4-dione
InChI:
InChI=1S/C10H5Br2NO3/c11-3-1-5(13)7-8(10(3)16)6(14)2-4(12)9(7)15/h1-2,16H,13H2
InChI Key:
ZTPUXMXSORUFAP-UHFFFAOYSA-N
SMILES:
BrC1=CC(=O)c2c(C1=O)c(N)cc(c2O)Br
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.862g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.962g/mol
Monoisotopic Mass:
344.864g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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