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605-62-9 | 4-Nitro-1-naphthol
CAS No: 605-62-9 Catalog No: AG003LUG MDL No:MFCD02179392
Product Description
Catalog Number:
AG003LUG
Chemical Name:
4-Nitro-1-naphthol
CAS Number:
605-62-9
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
MDL Number:
MFCD02179392
IUPAC Name:
4-nitronaphthalen-1-ol
InChI:
InChI=1S/C10H7NO3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,12H
InChI Key:
AUIRNGLMBHIITH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c2c1cccc2)O
NSC Number:
400336
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microwave-assisted synthesis of N-pyrazole ureas and the p38alpha inhibitor BIRB 796 for study into accelerated cell ageing. | Organic & biomolecular chemistry 20061121 |
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