2-클로로-6-(디에틸아미노)-플루오란

Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-chloro-6'-(diethylamino)-

HCID 117320CAS 26567-23-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCN(CC)c1ccc2c(c1)Oc1ccc(Cl)cc1C21OC(=O)c2ccccc21
InChIKey: GSCLSACFHWKTQU-UHFFFAOYSA-N
분자식: C24H20ClNO3
평균 분자량: 405.9 g/mol
단동위원소 질량: 405.1131712

이름 및 식별자

우선 이름: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-chloro-6'-(diethylamino)-
IUPAC: 2'-chloro-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
현지명: 2-클로로-6-(디에틸아미노)-플루오란
영어명: 2-Chloro-6-(diethylamino)-fluoran
분자식: C24H20ClNO3
분자량: 405.87

이름 및 동의어

26567-23-73-Diethylamino-7-chlorofluoranSpiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-chloro-6'-(diethylamino)-DTXSID30885362Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-chloro-6'-(diethylamino)-RefChem:888818DTXCID7010247452'-chloro-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one2'-Chloro-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one2'-chloro-6'-(diethylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-oneSCHEMBL5390314SCHEMBL29562455

이름 더 보기

2-클로로-6-(디에틸아미노)-플루오란MR5DP-0072'-chloro-6'-diethylaminofluoran2-Chloro-6-(diethylamino)-fluoran2'-Chloro-6'-(diethylamino)fluorane (C07) red pigment2'-Chloro-6'-diethylaminospiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one2'-Chloro-6'-diethylaminospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-oneSpiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one,2'-chloro-6'-(diethylamino)-Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one,2'-chloro-6'-(diethylaMino)//PSD-HR

2\'-Chloro-6\'-diethylaminofluoranDB-422780H848952'-Chloro-6'-(diethylamino)-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one

데이터베이스 식별자

CAS: 26567-23-7
PubChem CID: 117320
DTXSID: DTXSID30885362
Nikkaji: J68.977G

물성

구조 계산 물성

XLogP: 5.6
극성 표면적: 38.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 3
무거운 원자 수: 29
형식 전하: 0
복잡도: 625

물리화학적 성질

끓는 점: 596.6 · 596.6±50.0 °C(Predicted)
밀도: 1.37 · 1.37±0.1 g/cm3(Predicted)
산도 계수 (pKa): 4.76 · 4.76±0.20(Predicted)
InChI: InChI=1S/C24H20ClNO3/c1-3-26(4-2)16-10-11-19-22(14-16)28-21-12-9-15(25)13-20(21)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,3-4H2,1-2H3
InChIKey: GSCLSACFHWKTQU-UHFFFAOYSA-N
SMILES: C12(C3=C(C=C(N(CC)CC)C=C3)OC3=C1C=C(Cl)C=C3)C1=C(C=CC=C1)C(=O)O2
EPA: -1 · Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-chloro-6'-(diethylamino)- (26567-23-7)