3-chloro-1-benzofuran-2-carboxylic acid - CAS 856180-58-0
Catalog: |
BB037666 |
Product Name: |
3-chloro-1-benzofuran-2-carboxylic acid |
CAS: |
856180-58-0 |
Synonyms: |
3-chloro-2-benzofurancarboxylic acid; 3-chloro-1-benzofuran-2-carboxylic acid |
IUPAC Name: | 3-chloro-1-benzofuran-2-carboxylic acid |
Description: | 3-chloro-1-benzofuran-2-carboxylic acid (CAS# 856180-58-0 ) is a useful research chemical. |
Molecular Weight: | 196.586 |
Molecular Formula: | C9H5ClO3 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=C(O2)C(=O)O)Cl |
InChI: | InChI=1S/C9H5ClO3/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12) |
InChI Key: | HYYPKAKRYNNGPH-UHFFFAOYSA-N |
LogP: | 2.78440 |
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 |
KR-20150095606-A | Slurry Composition for Chemical Mechanical Polishing | 20150803 |
CN-105764569-B | Treat hepatitis b virus infected method and pharmaceutical composition | 20130911 |
CN-110404073-A | Treat hepatitis b virus infected method and pharmaceutical composition | 20130911 |
KR-101573113-B1 | Slurry Composition for Chemical Mechanical Polishing | 20130830 |
KR-20150025969-A | Slurry Composition for Chemical Mechanical Polishing | 20130830 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.9927217 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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Related Functional Groups
Benzofuran/Benzothiophene
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