Basic information
- CAS
499769-86-7- Standard SMILES
CN1CCOc2cc(B(O)O)ccc21- InChIKey
WTHSXWMILQRPIN-UHFFFAOYSA-N- Molecular formula
- C9H12BNO3
- Average molar mass
- 193.01 g/mol
- Monoisotopic mass
- 193.0910234
Names & identifiers
- Preferred name
- (4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)boronic acid
- IUPAC
- (4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)boronic acid
- English name
- 4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ylboronic acid,97%
- Molecular formula
- C9H12BNO3
- Molecular weight
- 193.01
Names & synonyms
499769-86-7(4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-yl)boronic acidDTXSID80678923RefChem:208914DTXCID80629672(4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)boronic acid4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-7-YLBORONIC ACID4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-ylboronic acid(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)boronic acidSCHEMBL1523488WTHSXWMILQRPIN-UHFFFAOYSA-NAKOS005146089
Show more names
4-Methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ylboronic acid,97%Boronic acid, B-(3,4-dihydro-4-methyl-2H-1,4-benzoxazin-7-yl)-(4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)boronic acid(WXC08439)
SB37360DB-358405CS-0133121F618632(4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazin-7-yl)boronicacid
Database identifiers
- CAS
499769-86-7
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- storage temp.
- 2 · 2-8°C, protect from light
- Appearance
- Brown to dark brown Solid
Chemistry & industry
Suppliers6 total
赛纳斯特化学（欢迎点击联系）021-60343070
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海智乾生物科技有限公司[email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
3 records
Compound notes
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