Basic information
- CAS
63017-87-8- Standard SMILES
Cc1c([N+](=O)[O-])ccc2ccccc12- InChIKey
PZVVTJCDVSSMPC-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 1-Methyl-2-nitronaphthalene
- IUPAC
- 1-methyl-2-nitronaphthalene
- English name
- 1-Methyl-2-nitronaphthalene
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
1-Methyl-2-nitronaphthalene63017-87-8NAPHTHALENE, 1-METHYL-2-NITRO-CCRIS 7762IG6TB7V6S8BRN 1872264UNII-IG6TB7V6S8NSC-153683DTXSID802122404-05-00-01693 (Beilstein Handbook Reference)NSC 153683RefChem:76236
Show more names
DTXCID80134731NSC153683CHEMBL165367SCHEMBL5941163SCHEMBL5941164SCHEMBL11638054DB-083779
Database identifiers
- CAS
63017-87-8- PubChem CID
- 44260
- DTXSID
DTXSID80212240- ChEMBL
CHEMBL165367- UNII
- IG6TB7V6S8
- Nikkaji
- J58.174G
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 224
Physicochemical properties
- Melting point
- 58 · 58-59 °C
- Boiling point
- 328.1 · 328.1±11.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- FDA UNII
- 6 TB7V6S8 · IG6TB7V6S8
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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