Basic information
- CAS
102630-96-6- Standard SMILES
Cc1ccc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c1- InChIKey
IGUIIBFKJFKXRE-UHFFFAOYSA-N- Molecular formula
- C15H14N2O3
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.10044231
Overview
See also: DL-m-Hydroxymandelic acid (annotation moved to).
Names & identifiers
- Preferred name
- n-(2,5-Dimethylphenyl)-2-nitrobenzamide
- IUPAC
- N-(2,5-dimethylphenyl)-2-nitrobenzamide
- English name
- DL-M- (DL-m-Hydroxymandelic acid)
- Molecular formula
- C15H14N2O3
- Molecular weight
- 270.28326
Names & synonyms
n-(2,5-dimethylphenyl)-2-nitrobenzamide53623-77-1DL-M- (DL-M-HYDROXYMANDELIC ACID)Cambridge id 5344876Oprea1_233446Oprea1_700521SCHEMBL12230498DTXSID60351823AKOS000344518ST010755AB00081675-01N-(2,5-dimethylphenyl)(2-nitrophenyl)carboxamide
Show more names
SR-01000205894SR-01000205894-1Z27670360
Database identifiers
- CAS
102630-96-6、53623-77-1- PubChem CID
- 710762
- DTXSID
DTXSID60351823- EC Number
- 169-489-7
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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