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4-Methyl-5-nitro-2-vinylbenzonitrile structure

4-Methyl-5-nitro-2-vinylbenzonitrile structure

4-Methyl-5-nitro-2-vinylbenzonitrile

Iupac Name：methyl 3-[3,8,13,18-tetrakis(2-methoxy-2-oxoethyl)-7,12,17-tris(3-methoxy-3-oxopropyl)-21,24-dihydroporphyrin-2-yl]propanoate

CAS No.: 10170-03-3

Molecular Weight：942.972

Modify Date.: 2022-02-11 11:03

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1. Names and Identifiers

1.1 Name: 4-Methyl-5-nitro-2-vinylbenzonitrile

2. Properties

3.1 Melting point: 291-292°C

3.1 Refractive index: 1.56

3.1 Vapour pressure: 0mmHg at 25°C

3.1 Precise Quality: 942.35300

3.1 PSA: 266.70000

3.1 logP: 1.23890

3. Safety and Handling

4.1 Safety Statements: safetyDesc

4.1 WGK Germany: 3

4. Computational chemical data

Molecular Weight: 942.972g/mol
Molecular Formula: C_₆H_₁₃NS
Compound Is Canonicalized: True
XLogP3-AA: 1.6
Exact Mass: 942.35348165
Monoisotopic Mass: 942.35348165
Complexity: 1770
Rotatable Bond Count: 28
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 18
Topological Polar Surface Area: 268
Heavy Atom Count: 68
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1

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Directory

1. Names and Identifiers

1.4 Molecular Formula

1.7 Canonical Smiles

1.8 Isomers Smiles

2. Properties

3.1 Melting point

3.1 Refractive index

3.1 Vapour pressure

3.1 Precise Quality

3. Safety and Handling

4.1 Safety Statements

4.1 WGK Germany

5.Computational chemical data

6.Recommended Suppliers