Chemical Properties of Benzoic acid, p-[3-(2-chloroethyl)-3-nitrosoureido]- (CAS 13909-25-6)

Benzoic acid, p-[3-(2-chloroethyl)-3-nitrosoureido]-

InChI
InChI=1S/C10H10ClN3O4/c11-5-6-14(13-18)10(17)12-8-3-1-7(2-4-8)9(15)16/h1-4H,5-6H2,(H,12,17)(H,15,16)
InChI Key
XXPHTAWBJVUIOY-UHFFFAOYSA-N
Formula
C10H10ClN3O4
SMILES
O=NN(CCCl)C(=O)Nc1ccc(C(=O)O)cc1
Molecular Weight1
271.66
CAS
13909-25-6
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Physical Properties

Property Value Unit Source
ω 1.0275 Relay (1.0) Calculated Property
ΔfG° -87.71 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -412.83 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 114.82 kJ/mol Relay (1.0) Calculated Property
IE 8.67 eV Relay (1.0) Calculated Property
log10WS -2.94 Relay (1.0) Calculated Property
logPoct/wat 2.139 Crippen Calculated Property
McVol 180.760 ml/mol McGowan Calculated Property
Pc 3509.58 kPa Joback Calculated Property
Tboil 625.10 K Relay (1.0) Calculated Property
Tc 951.23 K Relay (1.0) Calculated Property
Tfus 461.83 K Relay (1.0) Calculated Property
Vc 0.632 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-. Anthranilic acid, n-[(2-chloroethyl)nitrosocarbamoyl]-. [4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid. Urea, 1,1'-p-phenylenebis[3-(2-chloroethyl)-3-nitroso-. Benzoic acid, 4-[3-(2-chloroethyl)-3-nitrosoureido]-3,5-dimethyl-. Benzoic acid, p-(3-methyl-3-nitrosoureido)-. Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-. Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]-. Urea, 1-(2-chloroethyl)-3-mesityl-1-nitroso-. RTI 23. oxazolam, acetylated. 1-Methyl-3-piperidyl cyclopentylphenylglycolate. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,5,6-trimethyl-7-phenyl. Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7-phenyl. propyl-«delta»1-tetrahydrocannabinolic acid, TMS.

Find more compounds similar to Benzoic acid, p-[3-(2-chloroethyl)-3-nitrosoureido]-.

Sources

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