trans-2,2-Dimethyl-3-bromo-6-cyanochroman-4-ol

HCID 6932483

기본 정보

표준 SMILES
CC1(C)Oc2ccc(C#N)cc2[C@@H](O)[C@@H]1Br
InChIKey
PKZZJLKUYUVLMJ-MNOVXSKESA-N
분자식
C12H12BrNO2
평균 분자량
282.13 g/mol

이름 및 식별자

우선 이름
trans-2,2-Dimethyl-3-bromo-6-cyanochroman-4-ol
IUPAC
(3S,4R)-3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile

이름 및 동의어

SCHEMBL8090414PKZZJLKUYUVLMJ-MNOVXSKESA-NAKOS0002785352H-1-Benzopyran-6-carbonitrile,3-bromo-3,4-dihydro-4-hydroxy-2,2-dimethyl-, trans-DB-263850trans-2,2-dimethyl-3-bromo-6-cyanochroman-4-ol(+/-)-trans-3-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H-benzopyran-4-ol6-cyano-3,4-dihydro-2,2-dimethyl-trans-3-bromo-4-hydroxy-2H-benzo[b]pyran6-cyano-3,4-dihydro-2,2-dimethyltrans-3-bromo-4-hydroxy-2H-benzo[b]pyran(+/-)-6-cyano-3,4-dihydro-2,2-dimethyl-trans-3-bromo-4-hydroxy-2H-1-benzopyran(+/-)-trans-3-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-4-ol(+/-)-trans-3-bromo-6-cyano-3,4-dihydro-2,2-dimethyl-4-hydroxy-2H-1-benzopyran

데이터베이스 식별자

PubChem CID
6932483

물성

구조 계산 물성

XLogP
2
극성 표면적
53.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
0
무거운 원자 수
16

관련 반응

16건

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