6-Nitro-2,2-dimethylchromene

HCID 10375666

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Basic information

CAS: 33143-28-1
Standard SMILES: CC1(C)C=Cc2cc([N+](=O)[O-])ccc2O1
InChIKey: MJVCBDKNZRGZDF-UHFFFAOYSA-N
Molecular formula: C11H11NO3
Average molar mass: 205.21 g/mol
Monoisotopic mass: 205.07389321

Names & identifiers

Preferred name: 6-Nitro-2,2-dimethylchromene
IUPAC: 2,2-dimethyl-6-nitrochromene
English name: 6-Nitro-2,2-diMethylchroMene
Molecular formula: C11H11NO3
Molecular weight: 205.21

Names & synonyms

6-Nitro-2,2-dimethylchromene33143-28-12,2-dimethyl-6-nitrochromene2,2-dimethyl-6-nitro-2H-chromene6-nitro-2,2-dimethyl-2H-benzopyran2,2-dimethyl-6-nitro-2h-1-benzopyranSCHEMBL3193294SCHEMBL8309310DTXSID00438905MJVCBDKNZRGZDF-UHFFFAOYSA-N2,2,-dimethyl-6-nitro-2H-chromene2,2-dimethyl 6-nitro 2H-1-benzopyran

Show more names

2H-1-BENZOPYRAN, 2,2-DIMETHYL-6-NITRO-

DB-263966

Database identifiers

CAS: 33143-28-1
PubChem CID: 10375666
DTXSID: DTXSID00438905
Nikkaji: J658.681C

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 15
Formal charge: 0
Complexity: 293

Experimental & physicochemical properties

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Chemistry & industry

Applications · 1 item

Uses6-Nitro-2,2-dimethylchromene is used in the synthesis of chromene functional compounds showing antihypertensive activity. Intermediate in the synthesis of NIP 142 (N478300), an antiarrhythmic drug used in treatments involving cardiac arrythmia.