CAS 255050-65-8 Methyl 6-(((trifluoromethyl)sulfonyl)oxy)-1-naphthoate (HCID 22622428)

기본 정보

CAS: 255050-65-8
표준 SMILES: COC(=O)c1cccc2cc(OS(=O)(=O)C(F)(F)F)ccc12
InChIKey: HYZIXTMJSDGSDH-UHFFFAOYSA-N
분자식: C13H9F3O5S
평균 분자량: 334.27 g/mol

이름 및 식별자

우선 이름: Methyl 6-(((trifluoromethyl)sulfonyl)oxy)-1-naphthoate
IUPAC: methyl 6-(trifluoromethylsulfonyloxy)naphthalene-1-carboxylate
영어명: methyl 6-(trifluoromethylsulfonyloxy)-1-naphthoate
분자식: C13H9F3O5S
분자량: 334.27

이름 및 동의어

255050-65-8methyl 6-(((trifluoromethyl)sulfonyl)oxy)-1-naphthoateMethyl 6-{[(trifluoromethyl)sulfonyl]oxy}-1-naphthoateMethyl 6-[[(Trifluoromethyl)sulfonyl]oxy]-1-naphthoateSCHEMBL272962MFCD26398485SY461937DB-334708Methyl 6-(trifluoromethylsulfonyloxy)-1-naphthoatemethyl-6-(trifluoromethylsulfonyloxy)-1-napthoatemethyl 6-(((trifluoromethyl)sulfonyl)oxy) -1-naphthoate6-trifluoromethanesulfonyloxy-naphthalene-1-carboxylic acid methyl ester

이름 더 보기

6-[[(trifluoromethyl)sulfonyl]oxy]-1-Naphthalenecarboxylic acid methylester1-Naphthalenecarboxylic acid, 6-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

데이터베이스 식별자

CAS: 255050-65-8
PubChem CID: 22622428
EC Number: 194-932-6

물성

구조 계산 물성

XLogP: 3.8
극성 표면적: 78.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 22
형식 전하: 0
복잡도: 511

물리화학적 성질

InChI: InChI=1S/C13H9F3O5S/c1-20-12(17)11-4-2-3-8-7-9(5-6-10(8)11)21-22(18,19)13(14,15)16/h2-7H,1H3
InChIKey: HYZIXTMJSDGSDH-UHFFFAOYSA-N
SMILES: C1(C(OC)=O)=C2C(C=C(OS(C(F)(F)F)(=O)=O)C=C2)=CC=C1