Chemical Properties of 4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl- (CAS 23598-72-3)

4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl-

InChI
InChI=1S/C11H8ClNO3/c1-6-9(11(14)15)10(13-16-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H,14,15)
InChI Key
UVEPOHNXGXVOJE-UHFFFAOYSA-N
Formula
C11H8ClNO3
SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)O
Molecular Weight1
237.64
CAS
23598-72-3
Other Names
  • 3-(2-chlorophenyl)-5-methylisoxazole-4-carboxylic acid
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 0.7731 Relay (1.0) Calculated Property
ΔfG° -134.82 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -287.78 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 107.40 kJ/mol Relay (1.0) Calculated Property
IE 8.85 eV Relay (1.0) Calculated Property
log10WS -3.26 Relay (1.0) Calculated Property
logPoct/wat 3.002 Crippen Calculated Property
McVol 158.160 ml/mol McGowan Calculated Property
Pc 3579.43 kPa Relay (1.0-beta) Calculated Property
Tboil 607.98 K Relay (1.0) Calculated Property
Tc 912.84 K Relay (1.0) Calculated Property
Tfus 420.67 K Relay (1.0) Calculated Property
Vc 0.590 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. Riboflavine. 2'-Deoxyguanosine, tris(trimethylsilyl) deriv.. Zinc octaethylporphyrin chloride. azadirachtin. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Quinine, trimethylsilyl ether. Cytosine arabinoside, dimethyl-allyldimethylsilyl derivative. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. N-Desmethylmirtazapine. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. xanthosine-5'-monophosphate, TMS. Tinctorine. Sophoramine.

Find more compounds similar to 4-Isoxazolecarboxylic acid, 3-(o-chlorophenyl)-5-methyl-.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.