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147963-22-2

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Basic Information
CAS No.: 147963-22-2
Name: 7-AMINO-4-CHLOROMETHYLCOUMARIN
Article Data: 10
Molecular Structure:
Molecular Structure of 147963-22-2 (7-AMINO-4-CHLOROMETHYLCOUMARIN)
Formula: C10H8ClNO2
Molecular Weight: 209.632
Synonyms: CellTrackerBlue CMAC;
Density: 1.399 g/cm3
Boiling Point: 410.3 °C at 760 mmHg
Flash Point: 201.9 °C
PSA: 56.23000
LogP: 2.69520
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Specification

The 2H-1-Benzopyran-2-one,7-amino-4-(chloromethyl)-, with the CAS registry number 147963-22-2, is also known as 7-Amino-4-chloromethylcoumarin. This chemical's molecular formula is C10H8ClNO2 and molecular weight is 209.63. Its systematic name is called 7-amino-4-(chloromethyl)-2H-chromen-2-one.

Physical properties of 2H-1-Benzopyran-2-one,7-amino-4-(chloromethyl)-: (1)ACD/LogP: 1.14; (2)ACD/LogD (pH 5.5): 1.14; (3)ACD/LogD (pH 7.4): 1.14; (4)ACD/BCF (pH 5.5): 4.31; (5)ACD/BCF (pH 7.4): 4.31; (6)ACD/KOC (pH 5.5): 98.99; (7)ACD/KOC (pH 7.4): 99; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.633; (12)Molar Refractivity: 53.54 cm3; (13)Molar Volume: 149.8 cm3; (14)Surface Tension: 55.4 dyne/cm; (15)Density: 1.399 g/cm3; (16)Flash Point: 201.9 °C; (17)Enthalpy of Vaporization: 66.26 kJ/mol; (18)Boiling Point: 410.3 °C at 760 mmHg; (19)Vapour Pressure: 6.1E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCC=1c2c(OC(=O)C=1)cc(cc2)N
(2)InChI: InChI=1/C10H8ClNO2/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4H,5,12H2
(3)InChIKey: VIEYMVWPECAOCY-UHFFFAOYAY