6-Bromo-2,3-dimethoxybenzonitrile - CAS 1379366-41-2
Catalog: |
BB071787 |
Product Name: |
6-Bromo-2,3-dimethoxybenzonitrile |
CAS: |
1379366-41-2 |
Synonyms: |
6-BROMO-2,3-DIMETHOXYBENZONITRILE |
IUPAC Name: | 6-bromo-2,3-dimethoxybenzonitrile |
Description: | 6-Bromo-2,3-dimethoxybenzonitrile |
Molecular Weight: | 242.06 |
Molecular Formula: | C9H8BrNO2 |
Canonical SMILES: | COC1=C(C(=C(C=C1)Br)C#N)OC |
InChI: | InChI=1S/C9H8BrNO2/c1-12-8-4-3-7(10)6(5-11)9(8)13-2/h3-4H,1-2H3 |
InChI Key: | NGJUELZZYSTFBR-UHFFFAOYSA-N |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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