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

HCID 17859014CAS 441717-61-9

기본 정보

표준 SMILES: COC(=O)c1nn(Cc2ccc(OC)cc2)c2ccccc12
InChIKey: APGOKZLDEQLDRR-UHFFFAOYSA-N
분자식: C17H16N2O3
평균 분자량: 296.32 g/mol
단동위원소 질량: 296.11609238

이름 및 식별자

우선 이름: methyl 1-((4-methoxyphenyl)methyl)-1H-indazole-3-carboxylate
IUPAC: methyl 1-[(4-methoxyphenyl)methyl]indazole-3-carboxylate

이름 및 동의어

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

이름 더 보기

AKOS024255741SS-4825DB-187604methyl 1-(4-methoxybenzyl)-3-indazolylcarboxylate

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 3.3
극성 표면적: 53.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 5
무거운 원자 수: 22
형식 전하: 0
복잡도: 382

안전 및 규제

GHS 분류

GHS Classification · 5건

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.