2-Fluoro-4-hydroxy-5-methoxybenzaldehyde

HCID 598155
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Basic information

CAS
79418-77-2
Standard SMILES
COc1cc(C=O)c(F)cc1O
InChIKey
DDEFOLHFKVPOFE-UHFFFAOYSA-N
Molecular formula
C8H7FO3
Average molar mass
170.14 g/mol
Monoisotopic mass
170.0379223

Names & identifiers

Preferred name
2-Fluoro-4-hydroxy-5-methoxybenzaldehyde
IUPAC
2-fluoro-4-hydroxy-5-methoxybenzaldehyde
English name
Benzaldehyde, 2-fluoro-4-hydroxy-5-methoxy-
Molecular formula
C8H7FO3
Molecular weight
170.14

Names & synonyms

6-Fluorovanillin79418-77-22-Fluoro-4-hydroxy-5-methoxybenzaldehydeBenzaldehyde, 2-fluoro-4-hydroxy-5-methoxy-SCHEMBL416272DTXSID901274194MFCD000611092-fluoro-4-hydroxy-5-methoxy-benzaldehydeDB-1120502-Fluoro-4-hydroxy-5-methoxybenzaldehyde #

Database identifiers

CAS
79418-77-2
PubChem CID
598155
DTXSID
DTXSID901274194

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Boiling point
302.7 · 302.7±37.0 °C(Predicted)
Density
1.331 · 1.331±0.06 g/cm3(Predicted)
pka
6.8 · 6.80±0.23(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers3 total

安徽合诺生物科技有限公司0555-2761852
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Related reactions

22 records
New reaction record

Compound notes

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