Basic information
- CAS
1268163-62-7- Standard SMILES
CC1(C)OB(c2ccc(C=O)c([N+](=O)[O-])c2)OC1(C)C- InChIKey
KZGCWIWZCRTODT-UHFFFAOYSA-N- Molecular formula
- C13H16BNO5
- Average molar mass
- 277.08 g/mol
- Monoisotopic mass
- 277.1121528
Names & identifiers
- Preferred name
- 2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
- IUPAC
- 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
- English name
- 4-ForMyl-3-nitrophenylboronic acid, pinacol ester
- Molecular formula
- C13H16BNO5
- Molecular weight
- 277.08
Names & synonyms
1268163-62-72-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehydeMFCD224936684-Formyl-3-nitrophenylboronic acid, pinacol esterBenzaldehyde, 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-Formyl-3-nitrophenylboronic acid pinacol esterSCHEMBL1237710KZGCWIWZCRTODT-UHFFFAOYSA-NAKOS024262351BS-20429SY027271DB-409881
Show more names
CS-0174816F71995EN300-7357098F696338(4-Formyl-3-nitrophenyl)boronic Acid Pinacol Ester2-nitro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
Database identifiers
- CAS
1268163-62-7- PubChem CID
- 75487512
Properties
Computed structural properties
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- HS Code
- 2931900090 · 2931900090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2931900090
Chemistry & industry
Suppliers19 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海华思格医药科技有限公司13611612777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
合肥恩立医药科技有限公司0551-66399836 18955197623 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
湖南氩氡医药科技有限公司13764359345 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [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]
扬州摩笛尔电子材料有限公司13761402923 19975033992 · [email protected]
Related reactions
2 records
Compound notes
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