기본 정보
- CAS
115199-26-3- 표준 SMILES
CO/N=C(/C(=O)OC)c1ccccc1CBr- InChIKey
LDPXOYHMGOQPIV-JLHYYAGUSA-N- 분자식
- C11H12BrNO3
- 평균 분자량
- 286.12 g/mol
- 단동위원소 질량
- 285.00006
이름 및 식별자
- 우선 이름
- (E)-Methyl 2-(methoxyimino)-2-[2-(bromomethyl)phenyl]acetate
- IUPAC
- methyl (2E)-2-[2-(bromomethyl)phenyl]-2-methoxyiminoacetate
- 영어명
- (E)-Methyl-2-(2-broMoMethylphenyl)-2-MethoxyiMinoacetate
- 분자식
- C11H12BrNO3
- 분자량
- 286.12
이름 및 동의어
133409-72-0115199-26-3(E)-Methyl 2-(methoxyimino)-2-[2-(bromomethyl)phenyl]acetate(E)-2-[2-(Bromomethyl)phenyl]-2-(methoxyimino)acetic Acid Methyl Estermethyl (2E)-2-[2-(bromomethyl)phenyl]-2-methoxyiminoacetatemethyl(2E)-[2-(bromomethyl)phenyl](methoxyimino)acetate(E)-Methyl 2-(2-(bromomethyl)phenyl)-2-(methoxyimino)acetate(E)-Methyl-2-(2-bromomethylphenyl)-2-methoxyiminoacetateMETHYL 2-[2-(BROMOMETHYL)PHENYL]-2-(METHOXYIMINO)ACETATE(E)-Methyl 2-(2-Bromomethylphenyl)-2-methoximinoacetate; (E)-Methyl 2-(2-Bromomethylphenyl)glyoxylate O-Methyloxime; (E)-Methyl 2-Bromomethyl-alpha-methoxyiminophenylacetate; (E)-2-(Bromomethyl)phenylglyoxylic Acid Methyl Ester O-methyloxime; (E)-2-Methoxyimino-2-[2-(bromomethyl)phenyl]acetic Acid Methyl Ester;METHYL 2-(2-(BROMOMETHYL)PHENYL)-2-(METHOXYIMINO)ACETATESCHEMBL3621278
이름 더 보기
Methyl 2-(bromomethyl)-α-(methoxyimino)benzeneacetateMethyl (2z)-[2-(bromomethyl)phenyl](methoxyimino)acetateMethyl (z)-2-(2-(bromomethyl)phenyl)-2-(methoxyimino)acetate(E) 2- (2-bromomethylphenyl) -2-methoxyiminoacetate methyl ester2-[2-(BroMoMethyl)phenyl]-2-(MethoxyiMino)acetic Acid Methyl EsterBenzeneacetic acid, 2-(bromomethyl)-α-(methoxyimino)-, methyl ester
SCHEMBL29391748Methyl (2E)-2-[2-(bromomethyl)phenyl]-2-methoxyimino-acetateAKOS015859720DB-327907F530002(E)-Methyl2-(2-(bromomethyl)phenyl)-2-(methoxyimino)acetateBenzeneacetic acid, 2-(bromomethyl)-a-(methoxyimino)-, methyl ester,(aE)-
데이터베이스 식별자
- CAS
115199-26-3- PubChem CID
- 10989774
- EC Number
- 601-349-7
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 47.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 268
물리화학적 성질
- 끓는 점
- 343.7 · 343.7±44.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름 (약간 용해됨), DMSO (약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 옅은 노란색에서 옅은 베이지까지
안전 및 규제
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
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