2-Chloro-5-methylpyridine-3-boronic Acid - CAS 913835-86-6
Catalog: |
BB040150 |
Product Name: |
2-Chloro-5-methylpyridine-3-boronic Acid |
CAS: |
913835-86-6 |
Synonyms: |
(2-chloro-5-methyl-3-pyridinyl)boronic acid; (2-chloro-5-methylpyridin-3-yl)boronic acid |
IUPAC Name: | (2-chloro-5-methylpyridin-3-yl)boronic acid |
Description: | 2-Chloro-5-methylpyridine-3-boronic Acid (CAS# 913835-86-6) is a useful research chemical. |
Molecular Weight: | 342.78 |
Molecular Formula: | C12H14Cl2N2O4B2 |
Canonical SMILES: | B(C1=CC(=CN=C1Cl)C)(O)O |
InChI: | InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3 |
InChI Key: | ZMHWEBDZKPQNHG-UHFFFAOYSA-N |
Boiling Point: | 373.1 ℃ a t760 mmHg |
Density: | 1.34 g/cm3 |
Appearance: | Brown solid |
MDL: | MFCD04112563 |
LogP: | -0.27680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2837146-A1 | Benzocycloheptene acetic acids | 20110606 |
EP-2718264-A1 | Benzocycloheptene acetic acids | 20110606 |
EP-2718264-B1 | Benzocycloheptene acetic acids | 20110606 |
JP-2014522407-A | Benzocycloheptene acetic acid | 20110606 |
KR-20140041589-A | Benzocycloheptene acetic acid | 20110606 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.0258363 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.0258363 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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