Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate

HCID 53393319

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1202889-58-4
표준 SMILES: CCOC(=O)C1CCOc2cc(O)c(Cl)cc21
InChIKey: RXVPHMIRHIHSOQ-UHFFFAOYSA-N
분자식: C12H13ClO4
평균 분자량: 256.68 g/mol

이름 및 식별자

우선 이름: Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
IUPAC: ethyl 6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
영어명: Ethyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
분자식: C12H13ClO4
분자량: 256.68

이름 및 동의어

1202889-58-4ethyl 6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylateEthyl-6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylateSCHEMBL1569915RXVPHMIRHIHSOQ-UHFFFAOYSA-NAKOS015904472DB-430405Ethyl 6-chloro-3,4-dihydro-7-hydroxy-2H-1-benzopyran-4-carboxylateethyl 6-chloro-7-hydroxychroman-4-carboxylate6-chloro-2-ethyl-7-hydroxy-3,4-dihydro-2H-1-benzopyran-4-carboxylate2H-1-Benzopyran-4-carboxylic acid, 6-chloro-3,4-dihydro-7-hydroxy-, ethyl ester

데이터베이스 식별자

CAS: 1202889-58-4
PubChem CID: 53393319
EC Number: 802-446-9

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 55.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 17
형식 전하: 0
복잡도: 284

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.