1-(4-Chlorophenyl)cyclohexanecarboxylic Acid - CAS 58880-37-8
Catalog: |
BB030190 |
Product Name: |
1-(4-Chlorophenyl)cyclohexanecarboxylic Acid |
CAS: |
58880-37-8 |
Synonyms: |
1-(4-chlorophenyl)-1-cyclohexanecarboxylic acid; 1-(4-chlorophenyl)cyclohexane-1-carboxylic acid |
IUPAC Name: | 1-(4-chlorophenyl)cyclohexane-1-carboxylic acid |
Description: | 1-(4-Chlorophenyl)cyclohexanecarboxylic Acid (CAS# 58880-37-8) is a useful research chemical. |
Molecular Weight: | 238.71 |
Molecular Formula: | C13H15ClO2 |
Canonical SMILES: | C1CCC(CC1)(C2=CC=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C13H15ClO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16) |
InChI Key: | UPNXUJXIIZGXLQ-UHFFFAOYSA-N |
Boiling Point: | 378.9 °C at 760 mmHg |
Density: | 1.235 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00019350 |
LogP: | 3.62650 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111517905-A | Synthesis method of trans-4- (4-alkenyl cyclohexyl) -1,1' -biphenyl compound | 20200526 |
EP-3464279-A1 | Heterocyclic compounds as immunomodulators | 20160526 |
TW-201808902-A | Heterocyclic compound as an immunomodulator | 20160526 |
US-2017342060-A1 | Heterocyclic compounds as immunomodulators | 20160526 |
US-2020181126-A1 | Heterocyclic compounds as immunomodulators | 20160526 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.0760574 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.0760574 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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