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Basic information
- CAS
5442-40-0- Standard SMILES
O=C(Nc1cccc(Cl)c1)c1cc2ccccc2cc1O- InChIKey
CUTAMZZNECWJOY-UHFFFAOYSA-N- Molecular formula
- C17H12ClNO2
- Average molar mass
- 297.7 g/mol
- Monoisotopic mass
- 297.0556563
Names & identifiers
- Preferred name
- 2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-
- IUPAC
- N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
- English name
- N-(3-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide
- Molecular formula
- C17H12ClNO2
- Molecular weight
- 297.73568
Names & synonyms
2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-DTXSID8063888RefChem:476543DTXCID10417165442-40-0N-(3-Chlorophenyl)-3-hydroxynaphthalene-2-carboxamideTCMDC-124171C.I. Azoic Coupling Component 222-Naphthanilide, 3'-chloro-3-hydroxy-C.I. 37511N-(3-Chlorophenyl)-3-hydroxy-2-naphthalenecarboxamide5K5YW3Y3C4
Show more names
C.I.37511Azoic Coupling Component 22C.I.Azoic Coupling Component 22C.I.Azoic Coupling Component 22:C.I.37511
NSC-12969NSC-50683NSC 12969EINECS 226-636-0NSC 50683N-(3-Chlorophenyl)-3-hydroxy-2-naphthamideUNII-5K5YW3Y3C4Oprea1_159669
Database identifiers
- CAS
5442-40-0- PubChem CID
- 79513
- DTXSID
DTXSID8063888- ChEMBL
CHEMBL528589- UNII
- 5K5YW3Y3C4
- EC Number
- 226-636-0
- Nikkaji
- J73.256G
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Physicochemical properties
- FDA UNII
- 5 K5YW3Y3C4 · 5K5YW3Y3C4
- EPA Substance Registry System
- 2 · 2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy- (5442-40-0)
- 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
Chemistry & industry
Preparation methods
PreparationM-chloroaniline and 3-Hydroxy-2-naphthoic acid condensation.
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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