5-Carboxy-2-chlorophenylboronic Acid - CAS 913835-75-3
Catalog: |
BB040145 |
Product Name: |
5-Carboxy-2-chlorophenylboronic Acid |
CAS: |
913835-75-3 |
Synonyms: |
3-borono-4-chlorobenzoic acid; 3-borono-4-chlorobenzoic acid |
IUPAC Name: | 3-borono-4-chlorobenzoic acid |
Description: | 5-Carboxy-2-chlorophenylboronic Acid (CAS# 913835-75-3) is a useful research chemical. |
Molecular Weight: | 200.38 |
Molecular Formula: | C7H6ClO4B |
Canonical SMILES: | B(C1=C(C=CC(=C1)C(=O)O)Cl)(O)O |
InChI: | InChI=1S/C7H6BClO4/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,12-13H,(H,10,11) |
InChI Key: | ZITWKFSVFMUWIE-UHFFFAOYSA-N |
Boiling Point: | 462.5 °C at 760 mmHg |
Density: | 1.55 g/cm3 |
Appearance: | White solid |
MDL: | MFCD08689491 |
LogP: | -0.28200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
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Complexity: | 199 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.0047665 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.0047665 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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