Cas no 885518-32-1 (4-Bromo-3-hydroxymethyl-1H-indazole-6-carboxylic acid methyl ester)
885518-32-1 structure
Product Name:4-Bromo-3-hydroxymethyl-1H-indazole-6-carboxylic acid methyl ester
CAS No:885518-32-1
MF:C10H9BrN2O3
MW:285.094061613083
CID:2130303
PubChem ID:24728032
Update Time:2025-04-21
4-Bromo-3-hydroxymethyl-1H-indazole-6-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-3-hydroxymethyl-1H-indazole-6-carboxylic acid methyl ester
- methyl 4-bromo-3-(hydroxymethyl)-2H-indazole-6-carboxylate
- DTXSID30646117
- METHYL 4-BROMO-3-(HYDROXYMETHYL)-1H-INDAZOLE-6-CARBOXYLATE
- DB-357886
- 885518-32-1
-
- Inchi： 1S/C10H9BrN2O3/c1-16-10(15)5-2-6(11)9-7(3-5)12-13-8(9)4-14/h2-3,14H,4H2,1H3,(H,12,13)
- InChI Key： URTMECJXWLKPDW-UHFFFAOYSA-N
- SMILES： BrC1=CC(C(=O)OC)=CC2C1=C(CO)NN=2
Computed Properties
- Exact Mass: 283.97965Da
- Monoisotopic Mass: 283.97965Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 277
- 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: 1.2
- Topological Polar Surface Area: 75.2?2
4-Bromo-3-hydroxymethyl-1H-indazole-6-carboxylic acid methyl ester Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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