methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate

HCID 17859014
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Basic information

CAS
441717-61-9
Standard SMILES
COC(=O)c1nn(Cc2ccc(OC)cc2)c2ccccc12
InChIKey
APGOKZLDEQLDRR-UHFFFAOYSA-N
Molecular formula
C17H16N2O3
Average molar mass
296.32 g/mol
Monoisotopic mass
296.11609238

Names & identifiers

Preferred name
methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
IUPAC
methyl 1-[(4-methoxyphenyl)methyl]indazole-3-carboxylate

Names & synonyms

441717-61-9methyl 1-[(4-methoxyphenyl)methyl]-1H-indazole-3-carboxylatemethyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylateRefChem:812513807-255-4Methyl 1-(4-methoxybenzyl)-1H-indazole-3-carboxylatemethyl 1-[(4-methoxyphenyl)methyl]indazole-3-carboxylateSCHEMBL2433523CHEMBL5492601APGOKZLDEQLDRR-UHFFFAOYSA-NRSA71761MFCD28098250
Show more names
AKOS024255741SS-4825DB-187604methyl 1-(4-methoxybenzyl)-3-indazolylcarboxylate

Database identifiers

CAS
441717-61-9
PubChem CID
17859014
ChEMBL
CHEMBL5492601
EC Number
807-255-4

Properties

Computed structural propertiesFilling in

XLogP
3.3
Topological polar surface area
53.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
22

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Acute Tox. 4 (100%)

Related reactions

4 records
New reaction record

Compound notes

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