3-(Phenylamino)benzoic Acid - CAS 6025-56-5
Catalog: |
BB030628 |
Product Name: |
3-(Phenylamino)benzoic Acid |
CAS: |
6025-56-5 |
Synonyms: |
3-anilinobenzoic acid; 3-anilinobenzoic acid |
IUPAC Name: | 3-anilinobenzoic acid |
Description: | 3-(Phenylamino)benzoic Acid (CAS# 6025-56-5) is a useful research chemical. |
Molecular Weight: | 213.23 |
Molecular Formula: | C13H11NO2 |
Canonical SMILES: | C1=CC=C(C=C1)NC2=CC=CC(=C2)C(=O)O |
InChI: | InChI=1S/C13H11NO2/c15-13(16)10-5-4-8-12(9-10)14-11-6-2-1-3-7-11/h1-9,14H,(H,15,16) |
InChI Key: | RCHSJRJPIWLNPN-UHFFFAOYSA-N |
LogP: | 3.20140 |
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 |
Publication Number | Title | Priority Date |
TW-202100526-A | Pyrrolopyrazole derivatives | 20190306 |
AU-2014254114-A1 | Electret webs with charge-enhancing additives | 20130419 |
AU-2014254114-B2 | Electret webs with charge-enhancing additives | 20130419 |
CA-2909670-A1 | Electret webs with charge-enhancing additives | 20130419 |
EP-2986354-A2 | Electret webs with charge-enhancing additives | 20130419 |
PMID | Publication Date | Title | Journal |
22263837 | 20120308 | Development of potent and selective inhibitors of aldo-keto reductase 1C3 (type 5 17β-hydroxysteroid dehydrogenase) based on N-phenyl-aminobenzoates and their structure-activity relationships | Journal of medicinal chemistry |
21277203 | 20110301 | Discovery of substituted 3-(phenylamino)benzoic acids as potent and selective inhibitors of type 5 17β-hydroxysteroid dehydrogenase (AKR1C3) | Bioorganic & medicinal chemistry letters |
Complexity: | 236 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.078978594 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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