N-(3-Chloro-2-hydroxypropyl)-p-nitro benzamide
Basic information
- CAS
53460-76-7- Standard SMILES
O=C(NCC(O)CCl)c1ccc([N+](=O)[O-])cc1- InChIKey
HGNMMEVZKKNYKI-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O4
- Average molar mass
- 258.66 g/mol
- Monoisotopic mass
- 258.0407345
Names & identifiers
- Preferred name
- N-(3-Chloro-2-hydroxypropyl)-p-nitro benzamide
- IUPAC
- N-(3-chloro-2-hydroxypropyl)-4-nitrobenzamide
- English name
- N-(3-Chloro-2-hydroxypropyl)-p-nitrobenzamide
- Molecular formula
- C10H11ClN2O4
- Molecular weight
- 258.66
Names & synonyms
53460-76-7N-(3-Chloro-2-hydroxypropyl)-p-nitrobenzamideNSC 159345BRN 3373384OQR4000V7BBENZAMIDE, N-(3-CHLORO-2-HYDROXYPROPYL)-p-NITRO-N-(3-Chloro-2-hydroxypropyl)-p-nitro benzamideNSC-159345UNII-OQR4000V7B3-09-00-01717 (Beilstein Handbook Reference)BENZAMIDE, N-(3-CHLORO-2-HYDROXYPROPYL)-4-NITRO-RefChem:201995
Show more names
NSC159345DTXSID601350490DB-308570Q27285790
Database identifiers
- CAS
53460-76-7- PubChem CID
- 40775
- DTXSID
DTXSID601350490- UNII
- OQR4000V7B
- Nikkaji
- J149.073G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- FDA UNII
- 4000 V7B · OQR4000V7B
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Compound notes
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