3-Chloro-1-methyl-1,2-dihydroquinoxalin-2-one

HCID 1471088CAS 55687-06-4

기본 정보

표준 SMILES: Cn1c(=O)c(Cl)nc2ccccc21
InChIKey: AVOGNDGKQXBUOJ-UHFFFAOYSA-N
분자식: C9H7ClN2O
평균 분자량: 194.62 g/mol
단동위원소 질량: 194.02469052

이름 및 식별자

우선 이름: 3-Chloro-1-methyl-1,2-dihydroquinoxalin-2-one
IUPAC: 3-chloro-1-methylquinoxalin-2-one

이름 및 동의어

3-chloro-1-methyl-1,2-dihydroquinoxalin-2-one3-chloro-1-methyl-2(1H)-quinoxalinoneRefChem:499625898-731-055687-06-43-Chloro-1-methyl-1H-quinoxalin-2-one3-chloro-1-methylquinoxalin-2-one2(1H)-Quinoxalinone, 3-chloro-1-methyl-MFCD002445113-Chloro-1-methylquinoxalin-2(1H)-oneSCHEMBL5550211SCHEMBL29559517

이름 더 보기

DTXSID10362984AVOGNDGKQXBUOJ-UHFFFAOYSA-N3-chloro-1-methyl-quinoxalin-2-oneAKOS0062736522K-579SDA-23863CS-0260703EN300-7563200

데이터베이스 식별자

CAS: 55687-06-4
PubChem CID: 1471088
DTXSID: DTXSID10362984
EC Number: 898-731-0
Nikkaji: J3.172.679D

물성

구조 계산 물성

XLogP: 1.9
극성 표면적: 32.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 13
형식 전하: 0
복잡도: 264

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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.