4-Fluoro-6-iodo-1H-indazole-3-carbaldehyde

HCID 178720982CAS 887568-09-4
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Basic information

Standard SMILES
O=Cc1n[nH]c2cc(I)cc(F)c12
InChIKey
XWFWQSUZHXYWLV-UHFFFAOYSA-N
Molecular formula
C8H4FIN2O
Average molar mass
290.03 g/mol

Names & identifiers

Preferred name
4-Fluoro-6-iodo-1H-indazole-3-carbaldehyde
IUPAC
4-fluoro-6-iodo-2H-indazole-3-carbaldehyde
English name
4-FLUORO-6-IODO-4-INDAZOLECARBOXALDEHYDE
Molecular formula
C8H4FIN2O
Molecular weight
290.03

Names & synonyms

4-Fluoro-6-iodo-1H-indazole-3-carbaldehyde4-Fluoro-6-iodo-4-indazolecarbaldehyde4-FLUORO-6-IODO-4-INDAZOLECARBOXALDEHYDE1H-Indazole-3-carboxaldehyde, 4-fluoro-6-iodo-

Database identifiers

CAS
887568-09-4

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
45.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
429.7 · 429.7±40.0 °C(Predicted)
Density
2.179 · 2.179±0.06 g/cm3(Predicted)
pka
10.22 · 10.22±0.40(Predicted)

Chemistry & industry

Suppliers2 total

武汉代为医药科技有限公司027-65318838 13646286950 · [email protected]
南京凯姆铂医药科技有限公司025-66162170

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