Chemical Properties of Benoxaprofen (CAS 51234-28-7)

Benoxaprofen

InChI
InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)
InChI Key
MITFXPHMIHQXPI-UHFFFAOYSA-N
Formula
C16H12ClNO3
SMILES
CC(C(=O)O)c1ccc2oc(-c3ccc(Cl)cc3)nc2c1
Molecular Weight1
301.72
CAS
51234-28-7
Other Names
  • 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-«alpha»-methyl-
  • Compound 90459
  • Coxigon
  • Inflamid
  • Opren
  • 2-(p-Chlorophenyl)-«alpha»-methyl-5-benzoxazoleacetic acid
  • 2-(4-Chlorophenyl)-«alpha»-methyl-5-benzoxazoleacetic acid
  • Oraflex
  • Uniprofen
  • 5-Benzoxazoleacetic acid, 2-(4-chlorophenyl)-«alpha»-methyl, (.+/-.)-
  • (.+/-.)-2-(p-Chlorophenyl)-«alpha»-methyl-5-benzoxazoleacetic acid
  • NSC 299582
  • Lilly 90459
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Physical Properties

Property Value Unit Source
ω 0.8182 Relay (1.0) Calculated Property
ΔfG° -86.86 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -351.46 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 120.93 kJ/mol Relay (1.0) Calculated Property
IE 8.37 eV Relay (1.0) Calculated Property
log10WS -4.30 Relay (1.0) Calculated Property
logPoct/wat 4.336 Crippen Calculated Property
McVol 209.150 ml/mol McGowan Calculated Property
Pc 2720.40 kPa Relay (1.0-beta) Calculated Property
Tboil 680.07 K Relay (1.0) Calculated Property
Tc 1000.30 K Relay (1.0) Calculated Property
Tfus 417.15 K Relay (1.0) Calculated Property
Vc 0.768 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

norbormide. azadirachtin. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Benoxaprofen.

Sources

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