9-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile

HCID 54578769
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기본 정보

CAS
1256579-06-2
표준 SMILES
CC1(C)c2cc(O)c(Br)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21
InChIKey
FTLQDYMGJVZZLI-UHFFFAOYSA-N
분자식
C19H13BrN2O2
평균 분자량
381.2 g/mol
단동위원소 질량
380.01603976

이름 및 식별자

우선 이름
9-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
IUPAC
9-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
영어명
9-broMo-8-hydroxy-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile
분자식
C19H13BrN2O2
분자량
381.22

이름 및 동의어

1256579-06-29-Bromo-8-hydroxy-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrileMFCD280983149-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile9-Bromo-6,11-dihydro-8-hydroxy-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile9-bromo-8-hydroxy-6,6-dimethyl-11-oxo-5H,6H,11H-benzo[b]carbazole-3-carbonitrileSCHEMBL897343SCHEMBL29895705FTLQDYMGJVZZLI-UHFFFAOYSA-NDTXSID801126479GAC57906AC3411
이름 더 보기
Aletinib Impurity 49-broMo-8-hydroxy-6,6-diMethyl-11-oxo-6,11-dihydro-5H-benzo[...5H-Benzo[b]carbazole-3-carbonitrile, 9-bromo-6,11-dihydro-8-hydroxy-6,6-dimethyl-11-oxo-9-BROMO-8-HYDROXY-6,6-DIMETHYL-11-OXO -6,11-DIHYDRO-5H-BENZO[B]CARBAZOLE-3-CARBONITRILE _1256579-06-2
AC-30680SY060670DB-170583F830662

데이터베이스 식별자

CAS
1256579-06-2
PubChem CID
54578769
DTXSID
DTXSID801126479

물성

구조 계산 물성

XLogP
4.4
극성 표면적
76.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
24

물리화학적 성질

InChI
InChI=1S/C19H13BrN2O2/c1-19(2)12-7-15(23)13(20)6-11(12)17(24)16-10-4-3-9(8-21)5-14(10)22-18(16)19/h3-7,22-23H,1-2H3
InChIKey
FTLQDYMGJVZZLI-UHFFFAOYSA-N
SMILES
N1C2=C(C=CC(C#N)=C2)C2=C1C(C)(C)C1=CC(O)=C(Br)C=C1C2=O

화학 및 산업

공급사29 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
天津莱诺贝德科技有限公司022-87899851 18522914591
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
济南精合医药科技有限公司0531-88811783 · [email protected]

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