2-(4-Chlorophenyl)-2-oxoacetic Acid - CAS 7099-88-9
Catalog: |
BB034284 |
Product Name: |
2-(4-Chlorophenyl)-2-oxoacetic Acid |
CAS: |
7099-88-9 |
Synonyms: |
2-(4-chlorophenyl)-2-oxoacetic acid; 2-(4-chlorophenyl)-2-oxoacetic acid |
IUPAC Name: | 2-(4-chlorophenyl)-2-oxoacetic acid |
Description: | 2-(4-Chlorophenyl)-2-oxoacetic Acid (CAS# 7099-88-9) is a useful research chemical. |
Molecular Weight: | 184.58 |
Molecular Formula: | C8H5ClO3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)C(=O)O)Cl |
InChI: | InChI=1S/C8H5ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12) |
InChI Key: | RSAXVDMWQCQTDT-UHFFFAOYSA-N |
LogP: | 1.60730 |
GHS Hazard Statement: | H302 (100%): 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 |
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Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.9927217 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.9927217 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 54.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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