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914221-64-0

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Basic Information
CAS No.: 914221-64-0
Name: Methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate
Molecular Structure:
Molecular Structure of 914221-64-0 (Methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate)
Formula: C15H14ClNO4S
Molecular Weight: 339.799
Synonyms: Methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate;
EINECS: 618-748-7
Density: 1.376 g/cm3
Boiling Point: 481.3 °C at 760 mmHg
Flash Point: 244.9 °C
PSA: 72.06000
LogP: 4.03250
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Specification

The systematic name of Methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate is Benzoic acid, 4-chloro-2-[(methylphenylamino)sulfonyl]-, methyl ester. With the CAS registry number 914221-64-0, it is also named as 4-Chloro-2-(N-methyl-N-phenylsulfonamide)benzoicacid methyl ester. In addition, its molecular formula is C15H14ClNO4S and its molecular weight is 339.79. 

The other characteristics of Methyl 4-chloro-2-(N-methyl-N-phenylsulphonamide)benzoate can be summarized as: (1)Nominal mass: 339; (2)Average mass: 339.794; (3)Monoisotopic mass: 339.033206; (4)ACD/LogP: 2.86; (5)# of Rule of 5 Violations: 0; (6)ACD/LogD (pH 5.5): 2.86; (7)ACD/LogD (pH 7.4): 2.86; (8)H bond acceptors: 5; (9)H bond donors: 0; (10)Freely Rotating Bonds: 5; (11)Polar Surface Area: 72.06 Å2; (12)Index of Refraction: 1.602; (13)Molar Refractivity: 84.73 cm3; (14)Molar Volume: 246.9 cm3; (15)Polarizability: 33.59×10-24cm3; (16)Surface Tension: 52.4 dyne/cm; (17)Density: 1.376 g/cm3; (18)Flash Point: 244.9 °C; (19)Enthalpy of Vaporization: 74.6 kJ/mol; (20)Boiling Point: 481.3 °C at 760 mmHg; (21)Vapour Pressure: 2.02E-09 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC)c1ccc(Cl)cc1S(=O)(=O)N(C)c2ccccc2
(2)InChI:InChI=1/C15H14ClNO4S/c1-17(12-6-4-3-5-7-12)22(19,20)14-10-11(16)8-9-13(14)15(18)21-2/h3-10H,1-2H3
(3)InChIKey:BABMBGBBQJFFFI-UHFFFAOYAM
(4)Std. InChI:InChI=1S/C15H14ClNO4S/c1-17(12-6-4-3-5-7-12)22(19,20)14-10-11(16)8-9-13(14)15(18)21-2/h3-10H,1-2H3
(5)Std. InChIKey:BABMBGBBQJFFFI-UHFFFAOYSA-N