Basic information
- CAS
117-05-5- Standard SMILES
O=C(Nc1cccc2c1C(=O)c1cccc(Cl)c1C2=O)c1ccccc1- InChIKey
VDCUNNJIPITONP-UHFFFAOYSA-N- Molecular formula
- C21H12ClNO3
- Average molar mass
- 361.8 g/mol
- Monoisotopic mass
- 361.0505709
Names & identifiers
- Preferred name
- Benzamide, N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
- IUPAC
- N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide
- English name
- N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide
- Molecular formula
- C21H12ClNO3
- Molecular weight
- 361.77788
Names & synonyms
Benzamide, N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-DTXSID1059444RefChem:561578DTXCID4033390117-05-51-Benzamido-5-chloroanthraquinone5-Benzoylamino-1-chloroanthraquinoneAnthraquinone, 1-benzamido-5-chloro-N-(5-Chloro-9,10-dihydro-9,10-dioxo-1-anthryl)benzamide1-x-5-BaaAnthraquinone, 1-chloro-5-benzamido-N-(5-chloro-9,10-dioxoanthracen-1-yl)benzamide
Show more names
1-Benzoylamino-5-chloro-9,10-anthraquinoneN-(5-chloro-9,10-diketo-1-anthryl)benzamideN-(5-chloro-9,10-dioxo-anthracen-1-yl)benzamideN-(5-chloro-9,10-dioxo-9,10-dihydroanthracen-1-yl)benzamide
1-Chlor-5-benzoylaminoanthrachinonBENZAMIDE, N-(5-CHLORO-1-ANTHRAQUINONYL)-NSC-139801-X-5-Baa [Russian]CCRIS 56061-Chlor-5-benzoylaminoanthrachinon [Czech]EINECS 204-168-8NSC 13980
Database identifiers
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Density
- 1.212 · 1.2120 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
- FDA UNII
- 7 C2VCF9X · LW7C2VCF9X
- EPA Substance Registry System
- Benzamide, N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)- (117-05-5)
- TSCA
- TSCA listed
- Toxicity
- 500 mg/24H · eye-rbt 500 mg/24H MLD 28ZPAK -,89,72
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
- Toxicity
- eye-rbt 500 mg/24H MLD 28ZPAK -,89,72
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzamide, N-(5-chloro-9,10-dihydro-9,10-dioxo-1-anthracenyl)-: INACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
Alfa Chemistry+1-5166625404 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…