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203385-15-3

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Basic Information
CAS No.: 203385-15-3
Name: 2-(2-CHLORO-ACETYLAMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
Article Data: 5
Molecular Structure:
Molecular Structure of 203385-15-3 (2-(2-CHLORO-ACETYLAMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER)
Formula: C12H14ClNO3S
Molecular Weight: 287.767
Synonyms: 4H-Cyclopenta[b]thiophene-3-carboxylicacid, 2-[(chloroacetyl)amino]-5,6-dihydro-, ethylester (9CI);Ethyl 2-[(2-chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate;2-(2-Chloro-acetylamino)-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester;
Density: 1.391 g/cm3
Boiling Point: 502.8 °C at 760 mmHg
Flash Point: 257.9 °C
Hazard Symbols: Xi
PSA: 83.64000
LogP: 2.66380
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Specification

The CAS register number of 4H-Cyclopenta[b]thiophene-3-carboxylicacid, 2-[(2-chloroacetyl)amino]-5,6-dihydro-, ethyl ester is 203385-15-3. It also can be called as 2-(2-Chloro-acetylamino)-5,6-dihydro-4h-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester and the systematic name about this chemical is ethyl 2-[(chloroacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate. The molecular formula about this chemical is C12H14ClNO3S and the molecular weight is 287.76.

Physical properties about 4H-Cyclopenta[b]thiophene-3-carboxylicacid, 2-[(2-chloroacetyl)amino]-5,6-dihydro-, ethyl ester are: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 3.83; (3)ACD/LogD (pH 7.4): 3.83; (4)ACD/BCF (pH 5.5): 481.25; (5)ACD/BCF (pH 7.4): 481.24; (6)ACD/KOC (pH 5.5): 2894.97; (7)ACD/KOC (pH 7.4): 2894.92; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 74.85Å2; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 72.33 cm3; (14)Molar Volume: 206.8 cm3; (15)Polarizability: 28.67x10-24cm3; (16)Surface Tension: 55 dyne/cm; (17)Flash Point: 257.9 °C; (18)Enthalpy of Vaporization: 77.19 kJ/mol; (19)Boiling Point: 502.8 °C at 760 mmHg; (20)Vapour Pressure: 3.07E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC(=O)Nc1sc2c(c1C(=O)OCC)CCC2
(2)InChI: InChI=1/C12H14ClNO3S/c1-2-17-12(16)10-7-4-3-5-8(7)18-11(10)14-9(15)6-13/h2-6H2,1H3,(H,14,15)
(3)InChIKey: ZUCFVJPQTDOHSC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C12H14ClNO3S/c1-2-17-12(16)10-7-4-3-5-8(7)18-11(10)14-9(15)6-13/h2-6H2,1H3,(H,14,15)
(5)Std. InChIKey: ZUCFVJPQTDOHSC-UHFFFAOYSA-N