2-(3-Bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 401797-04-4
Catalog: |
BB071531 |
Product Name: |
2-(3-Bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
CAS: |
401797-04-4 |
Synonyms: |
2-(3-BROMO-5-METHOXYPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; 3-Bromo-5-methoxyphenylboronic acid pinacol ester; (3-BROMO-5-METHOXYPHENYL)BORONIC ACID PINACOL ESTER; 2-(3-bromo-5-methoxyphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(3-bromo-5-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Molecular Weight: | 313 |
Molecular Formula: | C13H18BBrO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)Br)OC |
InChI: | InChI=1S/C13H18BBrO3/c1-12(2)13(3,4)18-14(17-12)9-6-10(15)8-11(7-9)16-5/h6-8H,1-5H3 |
InChI Key: | JDXGYRZLDSSGPW-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.05324 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.05324 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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