4-(4-Chlorophenoxy)benzoic acid - CAS 21120-67-2
Catalog: |
BB016618 |
Product Name: |
4-(4-Chlorophenoxy)benzoic acid |
CAS: |
21120-67-2 |
Synonyms: |
4-(4-chlorophenoxy)benzoic acid |
IUPAC Name: | 4-(4-chlorophenoxy)benzoic acid |
Description: | 4-(4-Chlorophenoxy)benzoic acid (CAS# 21120-67-2) is a useful research chemical. |
Molecular Weight: | 248.66 |
Molecular Formula: | C13H9ClO3 |
Canonical SMILES: | C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H9ClO3/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,(H,15,16) |
InChI Key: | YVVCMTFJWOYNJW-UHFFFAOYSA-N |
Boiling Point: | 392.3 ℃ at 760 mmHg |
Density: | 1.347 g/cm3 |
MDL: | MFCD01862494 |
LogP: | 3.83050 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P333+P313, P337+P313, P363, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019161010-A1 | Inhibitors of trpc6 | 20180216 |
CN-111868055-A | Inhibitors of TRPC6 | 20180216 |
EP-3752503-A1 | Inhibitors of trpc6 | 20180216 |
US-2021053935-A1 | Inhibitors of trpc6 | 20180216 |
JP-2021513966-A | Inhibitor of TRPC6 | 20180216 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.0240218 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.0240218 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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