5-(Methoxycarbonyl)thiophene-2-boronic Acid - CAS 876189-21-8
Catalog: |
BB038554 |
Product Name: |
5-(Methoxycarbonyl)thiophene-2-boronic Acid |
CAS: |
876189-21-8 |
Synonyms: |
(5-methoxycarbonyl-2-thiophenyl)boronic acid; (5-methoxycarbonylthiophen-2-yl)boronic acid |
IUPAC Name: | (5-methoxycarbonylthiophen-2-yl)boronic acid |
Description: | 5-(Methoxycarbonyl)thiophene-2-boronic Acid (CAS# 876189-21-8) is a useful research chemical. |
Molecular Weight: | 185.99 |
Molecular Formula: | C6H7O4SB |
Canonical SMILES: | B(C1=CC=C(S1)C(=O)OC)(O)O |
InChI: | InChI=1S/C6H7BO4S/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3,9-10H,1H3 |
InChI Key: | VJWFTDBWRPSNFS-UHFFFAOYSA-N |
Boiling Point: | 386.725 ℃ at 760 mmHg |
Density: | 1.397 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08443761 |
LogP: | -0.78550 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 20190514 |
US-10510555-B2 | Mechanism for manufacturing semiconductor device | 20170929 |
US-2019103283-A1 | Mechanism for manufacturing semiconductor device | 20170929 |
US-2020118833-A1 | Mechanism for manufacturing semiconductor device | 20170929 |
US-11004691-B2 | Mechanism for manufacturing semiconductor device | 20170929 |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0158100 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0158100 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 95 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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