Cas no 863870-44-4 (Benzoic acid, 3-amino-4-(2,2-dibromoethenyl)-, methyl ester)
863870-44-4 structure
Product Name:Benzoic acid, 3-amino-4-(2,2-dibromoethenyl)-, methyl ester
CAS No:863870-44-4
MF:C10H9Br2NO2
MW:334.991961240768
CID:4253229
PubChem ID:11688592
Update Time:2025-04-24
Benzoic acid, 3-amino-4-(2,2-dibromoethenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-amino-4-(2,2-dibromoethenyl)-, methyl ester
- Methyl 3-Amino-4-(2,2-dibromovinyl)benzoate
- HS-7790
- SY350445
- 3-Amino-4-(2-2-dibromovinyl)-benzoic acid methyl ester
- SERWOJJXGBSGAU-UHFFFAOYSA-N
- Methyl 3-amino-4-(2,2-dibromoethenyl)benzoate
- SCHEMBL4884293
- 863870-44-4
- 3-amino-4-(2,2-dibromo-vinyl)-benzoic acid methyl ester
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- Inchi： 1S/C10H9Br2NO2/c1-15-10(14)7-3-2-6(5-9(11)12)8(13)4-7/h2-5H,13H2,1H3
- InChI Key： SERWOJJXGBSGAU-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C1=CC=C(/C=C(/Br)\Br)C(N)=C1
Computed Properties
- Exact Mass: 334.89795Da
- Monoisotopic Mass: 332.90000Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 264
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 52.3?2
Benzoic acid, 3-amino-4-(2,2-dibromoethenyl)-, methyl ester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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