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2348-81-4 | 1,4-Naphthalenedione, 2-amino-
CAS No: 2348-81-4 Catalog No: AG002NDM MDL No:MFCD00795986
Product Description
Catalog Number:
AG002NDM
Chemical Name:
1,4-Naphthalenedione, 2-amino-
CAS Number:
2348-81-4
Molecular Formula:
C10H7NO2
Molecular Weight:
173.1681
MDL Number:
MFCD00795986
IUPAC Name:
2-aminonaphthalene-1,4-dione
InChI:
InChI=1S/C10H7NO2/c11-8-5-9(12)6-3-1-2-4-7(6)10(8)13/h1-5H,11H2
InChI Key:
CYCRZLRIJWDWCM-UHFFFAOYSA-N
SMILES:
O=C1C=C(N)C(=O)c2c1cccc2
UNII:
7GHA3V7I78
NSC Number:
7936
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.171g/mol
Monoisotopic Mass:
173.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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