기본 정보
- CAS
78233-96-2- 표준 SMILES
O=C(NC(C(=O)O)C1CC(Cl)=NO1)OCC1c2ccccc2-c2ccccc21- InChIKey
BQADQSATVQNKNC-UHFFFAOYSA-N- 분자식
- C20H17ClN2O5
- 평균 분자량
- 400.8 g/mol
- 단동위원소 질량
- 400.08259932
이름 및 식별자
- 우선 이름
- 2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
- IUPAC
- 2-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acid
이름 및 동의어
78233-96-2NSC3290812-(3-chloro-4,5-dihydro-1,2-oxazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetic acidSCHEMBL11040693DTXSID80318337BQADQSATVQNKNC-UHFFFAOYSA-NFluorenylmethoxy carbonyl AT-1255-Isoxazoleacetic acid,5-dihydro-NSC-329081U-58175(3-Chloro-4,5-dihydro-1,2-oxazol-5-yl)({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)acetic acid3 -chloro-alpha-[[(9H-fluoren-9-yl-methoxy)carbonyl]amino]-4,5-dihydro-5-isoxazole acetic acid
이름 더 보기
3-chloro-alpha -[[(9H-fluoren-9ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid3-chloro-alpha-[[ (9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid3-chloro-alpha-[[(9H-fluoren-9-yl-methoxy)carbonyl]amino]-4,5-dihydro-5-isoxazole acetic acid3-chloro-alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,5-dihydro-5-isoxazoleacetic acid
데이터베이스 식별자
- CAS
78233-96-2- PubChem CID
- 332366
- DTXSID
DTXSID80318337
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 97.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 620
관련 반응
11건
화합물 노트
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