4-Cyclopropyl-2-fluoro-1-nitrobenzene

HCID 57423914

Notes Reactions

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Basic information

CAS: 932700-92-0
Standard SMILES: O=[N+]([O-])c1ccc(C2CC2)cc1F
InChIKey: PMSWCQVIQTYTEW-UHFFFAOYSA-N
Molecular formula: C9H8FNO2
Average molar mass: 181.16 g/mol

Names & identifiers

Preferred name: 4-Cyclopropyl-2-fluoro-1-nitrobenzene
IUPAC: 4-cyclopropyl-2-fluoro-1-nitrobenzene

Names & synonyms

4-cyclopropyl-2-fluoro-1-nitrobenzene932700-92-0MFCD224182464-Cyclopropyl-2-fluoro-1-nitro-benzeneBenzene, 4-cyclopropyl-2-fluoro-1-nitro-SCHEMBL239105PMSWCQVIQTYTEW-UHFFFAOYSA-NAKOS040768706SY468766DB-123446CS-0458691F778447

Show more names

A1-19373

Database identifiers

CAS: 932700-92-0
PubChem CID: 57423914
EC Number: 195-990-5

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 212

Related reactions

27 records

New reaction record

HRID 79004As productuspto-grants-2014_09

HRID 79005As reactantuspto-grants-2014_09

HRID 122258As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124231As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 282489As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 292377As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 521822As productuspto-grants-2016_05

HRID 521823As reactantuspto-grants-2016_05

Compound notes

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