CAS 1235036-15-3 tert-Butyl 3-bromo-6-chloropyridine-2-carboxylate (HCID 59447676)

기본 정보

CAS: 1235036-15-3
표준 SMILES: CC(C)(C)OC(=O)c1nc(Cl)ccc1Br
InChIKey: JKGXLKXQUDHRLL-UHFFFAOYSA-N
분자식: C10H11BrClNO2
평균 분자량: 292.55 g/mol
단동위원소 질량: 290.96617

이름 및 식별자

우선 이름: tert-Butyl 3-bromo-6-chloropyridine-2-carboxylate
IUPAC: tert-butyl 3-bromo-6-chloropyridine-2-carboxylate
현지명: 3차-부틸6-브로모-XNUMX-클로로피콜리네이트
영어명: Tert-butyl 3-bromo-6-chloropicolinate
분자식: C10H11BrClNO2
분자량: 292.56

이름 및 동의어

1235036-15-3tert-butyl 3-bromo-6-chloropyridine-2-carboxylateDTXSID20732098RefChem:383369DTXCID20682842tert-Butyl 3-bromo-6-chloropicolinateMFCD19443279tert-Butyl3-bromo-6-chloropicolinate2-Pyridinecarboxylic acid, 3-bromo-6-chloro-, 1,1-dimethylethyl esterSCHEMBL3361445tert-Butyl 3-bromo-6-chloro-pyridine-2-carboxylateSCHEMBL29801371

이름 더 보기

3차-부틸6-브로모-XNUMX-클로로피콜리네이트Tert-butyl 3-bromo-6-chloropyridolinate3-Bromo-6-chloropyridine Tert-Butyl formate3-Bromo-6-Chloropyridinecarboxylic acid tert butyl ester3-Bromo-6-chloro-pyridine-2-carboxylic acid tert-butyl ester3-bromo-6-chloro-2-pyridinecarboxylic acid 1,1-dimethylethyl ester1,?1-?Dimethylethyl Ester 3-?Bromo-?6-?chloro-?2-?Pyridinecarboxylic Acid

JKGXLKXQUDHRLL-UHFFFAOYSA-N3-Bromo-6-chloro-2-Boc-pyridinet-Butyl 3-bromo-6-chloropicolinateAKOS016008261SB21842AC-37520DA-46976DS-16814

데이터베이스 식별자

CAS: 1235036-15-3
PubChem CID: 59447676
DTXSID: DTXSID20732098

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 39.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 15
형식 전하: 0
복잡도: 242

물리화학적 성질

끓는 점: 334.3 · 334.3±37.0 °C(Predicted)
밀도: 1.475 · 1.475±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
산도 계수 (pKa): -3.48 · -3.48±0.10(Predicted)
InChI: InChI=1S/C10H11BrClNO2/c1-10(2,3)15-9(14)8-6(11)4-5-7(12)13-8/h4-5H,1-3H3
InChIKey: JKGXLKXQUDHRLL-UHFFFAOYSA-N
SMILES: C1(C(OC(C)(C)C)=O)=NC(Cl)=CC=C1Br