Chemical Properties of [4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid (CAS 13909-29-0)

[4-(([1-(2-Chloroethyl)-2-oxohydrazino]carbonyl)amino)phenyl]acetic acid

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InChI
InChI=1S/C11H12ClN3O4/c12-5-6-15(14-19)11(18)13-9-3-1-8(2-4-9)7-10(16)17/h1-4H,5-7H2,(H,13,18)(H,16,17)
InChI Key
ISHRKCISRZYJGC-UHFFFAOYSA-N
Formula
C11H12ClN3O4
SMILES
O=NN(CCCl)C(=O)Nc1ccc(CC(=O)O)cc1
Molecular Weight1
285.68
CAS
13909-29-0
Sources

Physical Properties

Property Value Unit Source
Δfgas -485.63 kJ/mol Joback Calculated Property
Δvap 95.15 kJ/mol Joback Calculated Property
logPoct/wat 2.07 Crippen Calculated Property
Pc 3142.03 kPa Joback Calculated Property
Tboil 846.10 K Joback Calculated Property
Tc 1053.70 K Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-Cl 1
-N= 1
=CH- (ring) 4
-OH (alcohol) 1
>N- 1
=C< (ring) 2
-CH2- 3
>NH 1
=O 1
>C=O (nonring) 2

Similar Compounds

Urea, 1-(2-chloroethyl)-1-nitroso-3-phenyl-. Urea, 1,1'-p-phenylenebis[3-(2-chloroethyl)-3-nitroso-. Urea, 1-(2-chloroethyl)-3-[p-(dimethylcarbamoyl)phenyl]-1-nitroso-. Acetic acid, [p-[3-(2-chloroethyl)-3-nitrosoureido]phenylthio]-. Urea, 1,1'-p-phenylenebis[3-(2-hydroxyethyl)-3-nitroso-. Urea, 1,1'-p-phenylenebis[3-(2-fluoroethyl)-3-nitroso-. Benzoic acid, 4-[3-(2-chloroethyl)-3-nitrosoureido]-3,5-dimethyl-. Urea, 1,1'-(2,3,5,6-tetramethyl-p-phenylene)bis[3-(2-chloroethyl)-3-nitroso]-. Benzoic acid, p-(3-methyl-3-nitrosoureido)-. Urea, 1-(4-acetylphenyl)-3-(2-chloroethyl)-. Urea], 1,1'-p-phenylene-bis[3-methyl-3-nitroso-. Urea, 1,1'-(methylenedi-p-phenylene)bis[3-(2-chloroethyl)-. Urea, 3-(p-methoxyphenyl)-1-methyl-1-nitroso-. Isoproturon. Urea, 3-(p-fluorophenyl)-1-methyl-1-nitroso-.

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