1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid
Basic information
- CAS
21894-06-4- Standard SMILES
O=C(O)c1cc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc2c1O- InChIKey
DBNQZGPCPCXGCX-UHFFFAOYSA-N- Molecular formula
- C17H11NO6
- Average molar mass
- 325.27 g/mol
- Monoisotopic mass
- 325.05863707
Names & identifiers
- Preferred name
- 1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid
- IUPAC
- 1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxylic acid
- English name
- 1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acid
- Molecular formula
- C17H11NO6
- Molecular weight
- 325.27
Names & synonyms
1-Hydroxy-4-(4-nitrophenoxy)-2-naphthoic acidN6LAN6SO302-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-UNII-N6LAN6SO30DTXSID5066740EINECS 244-640-02-Naphthoic acid, 1-hydroxy-4-(p-nitrophenoxy)-1-HYDROXY-4-(4-NITROPHENOXY)-2-NAPHTHALENECARBOXYLIC ACIDRefChem:75992DTXCID8036572244-640-021894-06-4
Show more names
1-Hydroxy-4-(p-nitrophenoxy)-2-naphthoic acid1-Hydroxy-4-(p-nitrophenoxy)-2-naphthalenecarboxylic acid3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-1,2,3,4,5,6,9,10,11,14,15,16,17,18,19,20,22,23-octadecahydroporphyrin-21,24-diid-2-yl]propanoate
1-hydroxy-4-(4-nitrophenoxy)naphthalene-2-carboxylic acidCHEMBL42457031-Hydroxy-4-(4-nitrophenoxy)-2-naphthoicacidOprea1_003933SCHEMBL7820316DBNQZGPCPCXGCX-UHFFFAOYSA-NHTS26034BDBM50463037
Database identifiers
- CAS
21894-06-4- PubChem CID
- 89091
- DTXSID
DTXSID5066740- ChEMBL
CHEMBL4245703- UNII
- N6LAN6SO30
- EC Number
- 244-640-0
- Nikkaji
- J32.593G
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- FDA UNII
- 6 LAN6SO30 · N6LAN6SO30
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)- (21894-06-4)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-: ACTIVE
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Compound notes
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