1,4-Benzenedimethanol, 2,5-difluoro-

HCID 22630192

Notes Reactions

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Basic information

CAS: 21139-35-5
Standard SMILES: OCc1cc(F)c(CO)cc1F
InChIKey: HZJCZHYTWNLVRT-UHFFFAOYSA-N
Molecular formula: C8H8F2O2
Average molar mass: 174.14 g/mol
Monoisotopic mass: 174.04923594

Names & identifiers

Preferred name: 1,4-Benzenedimethanol, 2,5-difluoro-
IUPAC: [2,5-difluoro-4-(hydroxymethyl)phenyl]methanol

Names & synonyms

21139-35-51,4-Benzenedimethanol, 2,5-difluoro-[2,5-difluoro-4-(hydroxymethyl)phenyl]methanol(2,5-Difluoro-1,4-phenylene)dimethanolalpha,alpha'-dihydroxy-2,5-difluoro-paraxyleneSCHEMBL523311HZJCZHYTWNLVRT-UHFFFAOYSA-NDTXSID201291010alpha,alpha'-dihydroxy-2,5-difluoro-para-xyleneEN300-7444448Z1896649194

Database identifiers

CAS: 21139-35-5
PubChem CID: 22630192
DTXSID: DTXSID201291010

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 127

Related reactions

2 records

New reaction record

HRID 1391073As productuspto-grants-1979_02

HRID 1391074As reactantuspto-grants-1979_02

Compound notes

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