2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one

HCID 737015
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Basic information

CAS
40890-47-9
Standard SMILES
COc1cnn(Cc2ccccc2)c(=O)c1Cl
InChIKey
KVZQNLPOHROISY-UHFFFAOYSA-N
Molecular formula
C12H11ClN2O2
Average molar mass
250.68 g/mol
Monoisotopic mass
250.05090527

Names & identifiers

Preferred name
2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one
IUPAC
2-benzyl-4-chloro-5-methoxypyridazin-3-one
English name
2-BENZYL-4-CHLORO-5-METHOXY-3(2H)-PYRIDAZINONE
Molecular formula
C12H11ClN2O2
Molecular weight
250.68

Names & synonyms

40890-47-92-benzyl-4-chloro-5-methoxypyridazin-3(2h)-oneDTXSID80353162RefChem:256561DTXCID303042252-benzyl-4-chloro-5-methoxy-3(2h)-pyridazinone2-benzyl-4-chloro-5-methoxypyridazin-3-oneCambridge id 5352743SCHEMBL4178364KVZQNLPOHROISY-UHFFFAOYSA-NSDCCGMLS-0066206.P001AB00082372-01
Show more names
3(2H)-Pyridazinone, 4-chloro-5-methoxy-2-(phenylmethyl)-
SR-010002065042-Benzyl-4-chloro-5-methoxy-3(2H-)-pyridazinoneSR-01000206504-1

Database identifiers

CAS
40890-47-9
PubChem CID
737015
DTXSID
DTXSID80353162
Nikkaji
J1.752.257D

Properties

Computed structural properties

XLogP
2
Topological polar surface area
41.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Physicochemical properties

Melting point
93 · 93-95 °C
Boiling point
395.5 · 395.5±52.0 °C(Predicted)
Density
1.27 · 1.27±0.1 g/cm3(Predicted)
pka
-2.35 · -2.35±0.20(Predicted)
HS Code
2933998090 · 2933998090

Safety & regulation

Safety data

hs_code
2933998090

Chemistry & industry

Suppliers5 total

Carbone Scientific CO., LTD[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
PRESTWICK[email protected]
APOLLO-NMR[email protected]
3B Scientific Corporation[email protected]

Related reactions

17 records
New reaction record

Compound notes

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