3,5-Dichloro-4-methoxybenzonitrile - CAS 3336-38-7
Catalog: |
BB055760 |
Product Name: |
3,5-Dichloro-4-methoxybenzonitrile |
CAS: |
3336-38-7 |
Synonyms: |
3,5-Dichloro-4-methoxybenzonitrile; 3,5-dichloro-4-methoxy-benzonitrile |
IUPAC Name: | 3,5-dichloro-4-methoxybenzonitrile |
Description: | 3,5-Dichloro-4-methoxybenzonitrile |
Molecular Weight: | 202.04 |
Molecular Formula: | C8H5Cl2NO |
Canonical SMILES: | COC1=C(C=C(C=C1Cl)C#N)Cl |
InChI: | InChI=1S/C8H5Cl2NO/c1-12-8-6(9)2-5(4-11)3-7(8)10/h2-3H,1H3 |
InChI Key: | NPWCZAJNWKKQOV-UHFFFAOYSA-N |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 200.9748192 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 200.9748192 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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