5-Chloro-3-(4-fluorophenyl)benzoic acid - CAS 1214344-28-1
Catalog: |
BB069404 |
Product Name: |
5-Chloro-3-(4-fluorophenyl)benzoic acid |
CAS: |
1214344-28-1 |
Synonyms: |
5-CHLORO-3-(4-FLUOROPHENYL)BENZOIC ACID; 3-chloro-5-(4-fluorophenyl)benzoic acid; 3-Chloro-4'-fluorobiphenyl-5-carboxylic acid; 5-CHLORO-3-(4-FLUOROPHENYL)BENZOICACID |
IUPAC Name: | 3-chloro-5-(4-fluorophenyl)benzoic acid |
Description: | 5-Chloro-3-(4-fluorophenyl)benzoic acid |
Molecular Weight: | 250.65 |
Molecular Formula: | C13H8ClFO2 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=CC(=C2)Cl)C(=O)O)F |
InChI: | InChI=1S/C13H8ClFO2/c14-11-6-9(5-10(7-11)13(16)17)8-1-3-12(15)4-2-8/h1-7H,(H,16,17) |
InChI Key: | WQBPPCXSAODAEI-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 250.0196853 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 250.0196853 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS