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Basic Information
CAS No.: 63498-15-7
Name: 4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride
Article Data: 3
Molecular Structure:
Molecular Structure of 63498-15-7 (4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride)
Formula: C8H4Cl2F3NO
Molecular Weight: 258.027
Synonyms: 4-Amino-3-chloro-5-(trifluoromethyl)benzoylchloride;
Density: 1.577 g/cm3
Melting Point: 116-126 °C
Boiling Point: 281 °C
Flash Point: 124 °C
PSA: 43.09000
LogP: 3.90120
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Specification

This chemical is called  4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride, and it can also be named as benzoyl chloride, 4-amino-3-chloro-5-(trifluoromethyl)-. With the molecular formula of C8H4Cl2F3NO, its molecular weight is 258.02. The CAS registry number of this chemical is 63498-15-7.

Other characteristics of the 4-Amino-3-chloro-5-(trifluoromethyl)benzoyl chloride can be summarised as followings: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 5; (4)ACD/LogD (pH 7.4): 5; (5)ACD/BCF (pH 5.5): 2519; (6)ACD/BCF (pH 7.4): 2519; (7)ACD/KOC (pH 5.5): 9466; (8)ACD/KOC (pH 7.4): 9466; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 43.09 Å2; (13)Index of Refraction: 1.531; (14)Molar Refractivity: 50.608 cm3; (15)Molar Volume: 163.583 cm3; (16)Polarizability: 20.063×10-24cm3; (17)Surface Tension: 39.471 dyne/cm; (18)Density: 1.577 g/cm3; (19)Flash Point: 123.636 °C; (20)Enthalpy of Vaporization: 51.958 kJ/mol; (21)Boiling Point: 280.821 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Nc1c(cc(cc1Cl)C(Cl)=O)C(F)(F)F
2.InChI: InChI=1/C8H4Cl2F3NO/c9-5-2-3(7(10)15)1-4(6(5)14)8(11,12)13/h1-2H,14H2
3. InChIKey: VFMOALNFJXDNSO-UHFFFAOYAC
4.Std. InChI: InChI=1S/C8H4Cl2F3NO/c9-5-2-3(7(10)15)1-4(6(5)14)8(11,12)13/h1-2H,14H2
5.Std. InChIKey: VFMOALNFJXDNSO-UHFFFAOYSA-N