2-Bromo-6-isobutoxybenzonitrile - CAS 1365272-63-4
Catalog: |
BB071426 |
Product Name: |
2-Bromo-6-isobutoxybenzonitrile |
CAS: |
1365272-63-4 |
Synonyms: |
2-Bromo-6-isobutoxybenzonitrile; 2-BROMO-6-(2-METHYLPROPOXY)BENZONITRILE; Benzonitrile, 2-bromo-6-(2-methylpropoxy)- |
IUPAC Name: | 2-bromo-6-(2-methylpropoxy)benzonitrile |
Description: | 2-Bromo-6-isobutoxybenzonitrile |
Molecular Weight: | 254.12 |
Molecular Formula: | C11H12BrNO |
Canonical SMILES: | CC(C)COC1=C(C(=CC=C1)Br)C#N |
InChI: | InChI=1S/C11H12BrNO/c1-8(2)7-14-11-5-3-4-10(12)9(11)6-13/h3-5,8H,7H2,1-2H3 |
InChI Key: | ZUKLSCYYESFDIA-UHFFFAOYSA-N |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.01023 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.01023 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 33Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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