CAS No.934996-79-9,5-Chloro-2-methyl-2,3-dihydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole-(2H)-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	934996-79-9
Name:	5-Chloro-2-methyl-2,3-dihydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole-(2H)-one
Article Data:	5

Formula:	C₁₇H₁₂ClNO₂
Molecular Weight:	297.741
Synonyms:	5-Chloro-2-Methyl-2,3-Dihydro-Benzo-[2,3:6,7]-Oxepino-[4,5-C]-pyrrole-(2H)-One;
Density:	1.435 g/cm³
Boiling Point:	530.834 °C at 760 mmHg
Flash Point:	274.839 °C
PSA:	29.54000
LogP:	3.76640

Raw Materials

57486-68-7

2444-36-2

25563-04-6

106-48-9

Downstream Products

85650-56-2

65576-45-6

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Specification

The 2,3-Dihydro-1-oxoasenapine, with the CAS registry number 934996-79-9, is also known as 5-Chloro-2-methyl-2,3-dihydrodibenzo[2,3:6,7]oxepino[4,5-c]pyrrole-(2H)-one. It belongs to the product categories of Heterocycles; Intermediates; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₇H₁₂ClNO₂ and molecular weight is 297.74. What's more, its systematic name is called 5-Chloro-2-methyl-2,3-dihydro-1H-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one.

Physical properties about 2,3-Dihydro-1-oxoasenapine are: (1)ACD/LogP: 4.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.33; (4)ACD/LogD (pH 7.4): 4.33; (5)ACD/BCF (pH 5.5): 1150.90; (6)ACD/BCF (pH 7.4): 1150.90; (7)ACD/KOC (pH 5.5): 5403.68; (8)ACD/KOC (pH 7.4): 5403.68; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.704; (14)Molar Refractivity: 80.537 cm³; (15)Molar Volume: 207.446 cm³; (16)Polarizability: 31.927×10^-24 cm³; (17)Surface Tension: 62.96 dyne/cm; (18)Density: 1.435 g/cm³; (19)Flash Point: 274.839 °C; (20)Enthalpy of Vaporization: 80.621 kJ/mol; (21)Boiling Point: 530.834 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN1CC2=C(C1=O)c3ccccc3Oc4c2cc(cc4)Cl
(2) InChI: InChI=1S/C17H12ClNO2/c1-19-9-13-12-8-10(18)6-7-15(12)21-14-5-3-2-4-11(14)16(13)17(19)20/h2-8H,9H2,1H3
(3) InChIKey: UEFINICFHHBHJQ-UHFFFAOYSA-N