기본 정보
- CAS
333451-79-9- 표준 SMILES
COC(=O)CN(c1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1- InChIKey
MAKKYPNROOTMDZ-UHFFFAOYSA-N- 분자식
- C16H16BrNO4S
- 평균 분자량
- 398.3 g/mol
- 단동위원소 질량
- 396.99834
이름 및 식별자
- 우선 이름
- Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinate
- IUPAC
- methyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetate
- 영어명
- [(4-Bromo-phenyl)-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester
- 분자식
- C16H16BrNO4S
- 분자량
- 398.27
이름 및 동의어
333451-79-9Methyl N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinateMethyl N-(4-bromophenyl)-N-tosylglycinatemethyl 2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetateMETHYL 2-[N-(4-BROMOPHENYL)4-METHYLBENZENESULFONAMIDO]ACETATEglycine, N-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]-, methyl esterMFCD02576467ALBB-029396AKOS000613444LS-10361CS-0332857ST50262041
이름 더 보기
methyl 2-[(4-bromophenyl)-(4-methylphenyl)sulfonylamino]acetatemethyl 2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]acetatemethyl 2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoate[(4-Bromo-phenyl)-(toluene-4-sulfonyl)-amino]-acetic acid methyl ester2-[(4-bromophenyl)-(4-methylphenyl)sulfonylamino]acetic acid methyl ester2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]acetic acid methyl ester
H44659AB00103892-01methyl 2-[4-bromo-N-(p-tolylsulfonyl)anilino]acetateMethylN-(4-bromophenyl)-N-[(4-methylphenyl)sulfonyl]glycinatemethyl 2-{(4-bromophenyl)[(4-methylphenyl)sulfonyl]amino}acetate
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 72.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 489
물리화학적 성질
- 끓는 점
- 506.9 · 506.9±60.0 °C(Predicted)
- 밀도
- 1.497 · 1.497±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -4.33 · -4.33±0.50(Predicted)
화학 및 산업
공급사3 곳
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