3-Carboxy-4-chlorophenylboronic Acid - CAS 913835-32-2
Catalog: |
BB040142 |
Product Name: |
3-Carboxy-4-chlorophenylboronic Acid |
CAS: |
913835-32-2 |
Synonyms: |
5-borono-2-chlorobenzoic acid; 5-borono-2-chlorobenzoic acid |
IUPAC Name: | 5-borono-2-chlorobenzoic acid |
Description: | 3-Carboxy-4-chlorophenylboronic Acid (CAS# 913835-32-2) is a useful research chemical. |
Molecular Weight: | 200.38 |
Molecular Formula: | C7H6ClO4B |
Canonical SMILES: | B(C1=CC(=C(C=C1)Cl)C(=O)O)(O)O |
InChI: | InChI=1S/C7H6BClO4/c9-6-2-1-4(8(12)13)3-5(6)7(10)11/h1-3,12-13H,(H,10,11) |
InChI Key: | RHIXAJHFXGTSAL-UHFFFAOYSA-N |
Boiling Point: | 438.025 °C at 760 mmHg |
Density: | 1.552 g/cm3 |
MDL: | MFCD06801689 |
LogP: | -0.28200 |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, 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 |
WO-2020241819-A1 | Complex, medicine, therapeutic agent for cancer, kit and conjugate | 20190529 |
EP-3636637-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
US-2020115368-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
WO-2020077071-A1 | Inhibiting fatty acid synthase (fasn) | 20181010 |
US-10875848-B2 | Inhibiting fatty acid synthase (FASN) | 20181010 |
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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