(3,5-Difluoro-4-nitro-phenyl)-dimethyl-amine

HCID 67264331

Notes Reactions

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Basic information

CAS: 1022957-93-2
Standard SMILES: CN(C)c1cc(F)c([N+](=O)[O-])c(F)c1
InChIKey: QXOJATGLIZOSRW-UHFFFAOYSA-N
Molecular formula: C8H8F2N2O2
Average molar mass: 202.16 g/mol
Monoisotopic mass: 202.05538383

Names & identifiers

Preferred name: (3,5-Difluoro-4-nitro-phenyl)-dimethyl-amine
IUPAC: 3,5-difluoro-N,N-dimethyl-4-nitroaniline

Names & synonyms

SCHEMBL2062048QXOJATGLIZOSRW-UHFFFAOYSA-NDTXSID7012577143,5-difluoro-N,N-dimethyl-4-nitroaniline3,5-Difluoro-N,N-dimethyl-4-nitrobenzenamine(3,5-Difluoro-4-nitro-phenyl)-dimethyl-amine1022957-93-2

Database identifiers

CAS: 1022957-93-2
PubChem CID: 67264331
DTXSID: DTXSID701257714

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 208

Related reactions

3 records

New reaction record

HRID 944541As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1041682As reactantuspto-grants-2013_10

HRID 1688024As reactantuspto-grants-2012_04

Compound notes

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