Dipotassium 4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-6-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate

HCID 11970658
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기본 정보

CAS
79135-93-6
표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])c(Cl)c2)C(=O)C1N=Nc1cc(Nc2nc(F)nc(F)c2Cl)c(S(=O)(=O)[O-])cc1C.[K+].[K+]
InChIKey
IWEHIFRMLAYGSG-UHFFFAOYSA-L
분자식
C21H13Cl2F2K2N7O7S2
평균 분자량
726.6 g/mol
단동위원소 질량
724.89371292

이름 및 식별자

우선 이름
Dipotassium 4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-6-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate
IUPAC
dipotassium;2-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-[[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonate
영어명
dipotassium 4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-6-[[1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]toluene-3-sulphonate
분자식
C21H13Cl2F2K2N7O7S2
분자량
726.6000264

이름 및 동의어

79135-93-6EINECS 279-094-2Dipotassium 4-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-6-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonateIWEHIFRMLAYGSG-UHFFFAOYSA-LDTXSID601373872dipotassium 2-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-4-[[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonateNS00062204Benzenesulfonic acid, 2-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[2-[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-methyl-, potassium salt (1:2)dipotassium 4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-6-[[1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]toluene-3-sulphonate2-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]-5-methylbenzenesulfonic acid dipotassium saltBenzenesulfonic acid,2-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-methyl-,dipotassium saltBenzenesulfonic acid, 2-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-methyl-, dipotassium salt

데이터베이스 식별자

CAS
79135-93-6
PubChem CID
11970658
DTXSID
DTXSID601373872
EC Number
279-094-2
Nikkaji
J319.238E

물성

구조 계산 물성

극성 표면적
226 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
15
회전 가능 결합 수
5
무거운 원자 수
43

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