Basic information
- CAS
426268-09-9- Standard SMILES
OB(O)c1ccc2nonc2c1- InChIKey
CHYMBQMSEFLESI-UHFFFAOYSA-N- Molecular formula
- C6H5BN2O3
- Average molar mass
- 163.93 g/mol
- Monoisotopic mass
- 164.03932242
Names & identifiers
- Preferred name
- Benzo[C][1,2,5]Oxadiazole-5-Boronic Acid
- IUPAC
- 2,1,3-benzoxadiazol-5-ylboronic acid
- English name
- Benzo[c][1,2,5]oxadiazole-5-boronic acid
- Molecular formula
- C6H5BN2O3
- Molecular weight
- 163.93
Names & synonyms
426268-09-9Benzo[c][1,2,5]oxadiazol-5-ylboronic acidBenzo[C][1,2,5]Oxadiazole-5-Boronic Acid2,1,3-benzoxadiazol-5-ylboronic acidMFCD07186239(2,1,3-BENZOXADIAZOL-5-YL)BORONIC ACIDCHEMBL4082284SCHEMBL439914DTXSID30405428CHYMBQMSEFLESI-UHFFFAOYSA-NBDBM50266946AKOS004116042
Show more names
AKOS BRN-0410Benzofurazane-5-ylboronic acidBENZO[1,2,5]OXA-DIAZOLE-5-BORATEBenzo-1,2,5oxadiazole-5-boronic acid2,1,3-Benzoxadiazol-5-yl-boronic AcidBoronic acid, B-2,1,3-benzoxadiazol-5-yl-
5-benzo[1,2,5]oxadiazoleboronic acidAB30565CS-W005986DS-2004benzo[1,2,5]oxadiazole-5-boronic acidSY1041925-Benzo[c][1,2,5]oxadiazoleboronic AcidB-2,1,3-benzoxadiazol-5-yl-boronic acid
Database identifiers
- CAS
426268-09-9- PubChem CID
- 4672597
- DTXSID
DTXSID30405428- ChEMBL
CHEMBL4082284- Nikkaji
- J1.676.689E
Properties
Computed structural properties
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 374.7 · 374.7±52.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 6.36 · 6.36±0.30(Predicted)
- Appearance
- Light yellow to yellow Solid
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers41 total
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
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北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
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Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
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湖北鑫源顺医药化工有限公司027-50664929, 13971561712 · [email protected]
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career henan chemical co+86-0371-86658258 · [email protected]
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Shanghai Scochem Technology Co., Ltd+86-021-33758897 +86-13701882790 · [email protected]
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Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
Baoji Guokang Healthchem Co., Ltd.+86-0917-3909592 +86-13892490616 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
上海锐谱医药科技有限公司15895968936 · [email protected]
Related reactions
20 records
Compound notes
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