2,3-Dichloro-4,5-dihydroxybenzaldehyde

HCID 14748636
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Basic information

CAS
125001-04-9
Standard SMILES
O=Cc1cc(O)c(O)c(Cl)c1Cl
InChIKey
DRELBLKEYWKKNI-UHFFFAOYSA-N
Molecular formula
C7H4Cl2O3
Average molar mass
207.01 g/mol
Monoisotopic mass
205.9537494

Names & identifiers

Preferred name
2,3-Dichloro-4,5-dihydroxybenzaldehyde
IUPAC
2,3-dichloro-4,5-dihydroxybenzaldehyde
English name
Benzaldehyde, 2,3-dichloro-4,5-dihydroxy- (9CI)
Molecular formula
C7H4Cl2O3
Molecular weight
207.01

Names & synonyms

2,3-dichloro-4,5-dihydroxybenzaldehyde125001-04-9Benzaldehyde, 2,3-dichloro-4,5-dihydroxy- (9CI)BENZALDEHYDE, 2,3-DICHLORO-4,5-DIHYDROXY-SCHEMBL10399122DTXSID00563605DRELBLKEYWKKNI-UHFFFAOYSA-NDB-273526

Database identifiers

CAS
125001-04-9
PubChem CID
14748636
DTXSID
DTXSID00563605
Nikkaji
J589.152C

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Physicochemical properties

Boiling point
316.3 · 316.3±37.0 °C(Predicted)
Density
1.698 · 1.698±0.06 g/cm3(Predicted)
pka
5.2 · 5.20±0.28(Predicted)

Chemistry & industry

Suppliers1 total

CHEMSTEP[email protected]

Related reactions

2 records
New reaction record

Compound notes

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