Chemical Properties of (Z)-3-(o-Bromophenylamino)-2-nitrocrotonic acid methyl ester (CAS 127727-83-7)

(Z)-3-(o-Bromophenylamino)-2-nitrocrotonic acid methyl ester

InChI
InChI=1S/C11H11BrN2O4/c1-7(10(14(16)17)11(15)18-2)13-9-6-4-3-5-8(9)12/h3-6,13H,1-2H3/b10-7-
InChI Key
YTXNBNGNYHWPFP-YFHOEESVSA-N
Formula
C11H11BrN2O4
SMILES
COC(=O)C(=C(C)Nc1ccccc1Br)[N+](=O)[O-]
Molecular Weight1
315.12
CAS
127727-83-7
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Physical Properties

Property Value Unit Source
ΔfusH° 40.01 kJ/mol Joback Calculated Property
IE 7.82 eV Relay (1.0) Calculated Property
log10WS -4.36 Relay (1.0) Calculated Property
logPoct/wat 2.542 Crippen Calculated Property
McVol 190.130 ml/mol McGowan Calculated Property
Tfus 384.61 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [498.05; 547.94] J/mol×K [831.12; 1086.81] Show Hide
Cp,gas 498.05 J/mol×K 831.12 Joback Calculated Property
Cp,gas 508.32 J/mol×K 873.74 Joback Calculated Property
Cp,gas 517.71 J/mol×K 916.35 Joback Calculated Property
Cp,gas 526.29 J/mol×K 958.97 Joback Calculated Property
Cp,gas 534.13 J/mol×K 1001.58 Joback Calculated Property
Cp,gas 541.32 J/mol×K 1044.20 Joback Calculated Property
Cp,gas 547.94 J/mol×K 1086.81 Joback Calculated Property

Similar Compounds

(Z)-3-(p-Chlorophenylamino)-2-nitrocrotonic methyl ester. (Z)-3-(p-Methylphenylamino)-2-nitrocrotonic acid methyl ester. (Z)-3-(o-Methylphenylamino)-2-nitrocrotonic acid methyl ester. Cefmetazole. 1-Phenylcarbamoyl-2,3-phthaloylpyrrocoline. Uridine, 2',5'-bis-O-acetyl, 3'-O-TBDMS. Uridine, 3'-O-TBDMS. Bialophos, N,O,O-tris(tert-butyldimethylsilyl)deriv.. RTI 23. Folic acid. Hydrastine. N6-(cyclotetramethylene-tertbutylsilyl)-2'-Deoxyadenosine, 3',5'-bis-O-TBDMS. 5,6-Dihydrouracil riboside, TMS. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. cis-1,2-Tetralinediol, ferrocenylboronate.

Find more compounds similar to (Z)-3-(o-Bromophenylamino)-2-nitrocrotonic acid methyl ester.

Sources

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