CAS No.1032903-50-6,1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1032903-50-6
Name:	1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene

Formula:	C₁₀H₁₂ClNO₃
Molecular Weight:	229.663
Synonyms:	1-chloro-2-methyl-4-nitro-5-(propan-2-yloxy)benzene;2-chloro-4-isopropoxy-5-nitrotoluene;QC-3634;RW4053;1-CHLORO-5-ISOPROPOXY-2-METHYL-4-NITROBENZENE;
Density:	1.228 g/cm³
Boiling Point:	333.1 °C at 760 mmHg
Flash Point:	155.3 °C
PSA:	55.05000
LogP:	3.86700

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Specification

This chemical is an organic compound with the formula C₁₀H₁₂ClNO₃. The systematic name of this chemical is 1-chloro-5-isopropoxy-2-methyl-4-nitro-benzene and the CAS registry number is 1032903-50-6. In addition, the molecular weight is 229.66.

The other characteristics of 1-Chloro-5-isopropoxy-2-methyl-4-nitrobenzene can be summarized as: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.95; (4)ACD/LogD (pH 7.4): 3.95; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 55.05 Å²; (9)Index of Refraction: 1.537; (10)Molar Refractivity: 58.42 cm³; (11)Molar Volume: 186.8 cm³; (12)Polarizability: 23.15×10^-24 cm³; (13)Surface Tension: 39.9 dyne/cm; (14)Density: 1.228 g/cm³; (15)Flash Point: 155.3 °C; (16)Enthalpy of Vaporization: 55.31 kJ/mol; (17)Boiling Point: 333.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00027 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:Cc1cc(c(cc1Cl)OC(C)C)[N+](=O)[O-]
2. InChI:InChI=1/C10H12ClNO3/c1-6(2)15-10-5-8(11)7(3)4-9(10)12(13)14/h4-6H,1-3H3
3. InChIKey:BXIHEXKVDALKGM-UHFFFAOYAM
4. Std. InChI:InChI=1S/C10H12ClNO3/c1-6(2)15-10-5-8(11)7(3)4-9(10)12(13)14/h4-6H,1-3H3
5. Std. InChIKey:BXIHEXKVDALKGM-UHFFFAOYSA-N