(2,6-Dichloro-4-nitrophenyl)methanol

HCID 23311409

Notes Reactions

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Basic information

CAS: 88135-17-5
Standard SMILES: O=[N+]([O-])c1cc(Cl)c(CO)c(Cl)c1
InChIKey: RZETUNABIJOOEN-UHFFFAOYSA-N
Molecular formula: C7H5Cl2NO3
Average molar mass: 222.02 g/mol
Monoisotopic mass: 220.9646484

Names & identifiers

Preferred name: (2,6-Dichloro-4-nitrophenyl)methanol
IUPAC: (2,6-dichloro-4-nitrophenyl)methanol

Names & synonyms

88135-17-5(2,6-Dichloro-4-nitrophenyl)methanolSCHEMBL10917076DTXSID50632754RZETUNABIJOOEN-UHFFFAOYSA-N2,6-dichloro-4-nitrobenzylalcohol

Database identifiers

CAS: 88135-17-5
PubChem CID: 23311409
DTXSID: DTXSID50632754

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 66.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 185

Related reactions

6 records

New reaction record

HRID 104879 reaction equation

HRID 104879As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 672432 reaction equation

HRID 672432As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 746039 reaction equation

HRID 746039As productuspto-grants-1986_07

HRID 746040 reaction equation

HRID 746040As reactantuspto-grants-1986_07

HRID 746044 reaction equation

HRID 746044As productuspto-grants-1986_07

HRID 933718 reaction equation

HRID 933718As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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CAS 88135-17-5 (2,6-Dichloro-4-nitrophenyl)methanol (HCID 23311409)｜Huagongshe