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CAS No.: | 25546-09-2 |
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Name: | 3-(4-chloro-2-hydroxyphenyl)-1,1-dimethylurea |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H11ClN2O2 |
Molecular Weight: | 214.652 |
Synonyms: | N'-(4-Chloro-2-hydroxyphenyl)-N,N-dimethylurea; |
EINECS: | 247-089-4 |
Density: | 1.37 g/cm3 |
Boiling Point: | 389.7 °C at 760 mmHg |
Flash Point: | 189.5 °C |
PSA: | 56.06000 |
LogP: | 2.15270 |
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The Urea,N'-(4-chloro-2-hydroxyphenyl)-N,N-dimethyl-, with the CAS registry number of 25546-09-2, is also known as N'-(4-Chloro-2-hydroxyphenyl)-N,N-dimethylurea. Its EINECS registry number is 247-089-4. Its molecular formula is C9H11ClN2O2 and molecular weight is 214.64884. What's more, its IUPAC name is 3-(4-Chloro-2-hydroxyphenyl)-1,1-dimethylurea.
Physical properties about the Urea,N'-(4-chloro-2-hydroxyphenyl)-N,N-dimethyl- are: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.86; (6)ACD/BCF (pH 7.4): 14.33; (7)ACD/KOC (pH 5.5): 240.19; (8)ACD/KOC (pH 7.4): 231.56; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 55.65 cm3; (15)Molar Volume: 156.6 cm3; (16)Surface Tension: 55.3 dyne/cm; (17)Density: 1.37 g/cm3; (18)Flash Point: 189.5 °C; (19)Enthalpy of Vaporization: 66.4 kJ/mol; (20)Boiling Point: 389.7 °C at 760 mmHg; (21)Vapour Pressure: 1.25E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc(O)c(NC(=O)N(C)C)cc1
(2) InChI: InChI=1/C9H11ClN2O2/c1-12(2)9(14)11-7-4-3-6(10)5-8(7)13/h3-5,13H,1-2H3,(H,11,14)
(3) InChIKey: DNSFPBQZUFGMGC-UHFFFAOYAE