3-Bromo-4-isopropoxybenzaldehyde - CAS 191602-84-3
Catalog: |
BB055356 |
Product Name: |
3-Bromo-4-isopropoxybenzaldehyde |
CAS: |
191602-84-3 |
Synonyms: |
3-Bromo-4-isopropoxybenzaldehyde; 3-bromo-4-propan-2-yloxybenzaldehyde; 3-bromo-4-(propan-2-yloxy)benzaldehyde; Benzaldehyde, 3-bromo-4-(1-methylethoxy)- |
IUPAC Name: | 3-bromo-4-propan-2-yloxybenzaldehyde |
Description: | 3-Bromo-4-isopropoxybenzaldehyde |
Molecular Weight: | 243.1 |
Molecular Formula: | C10H11BrO2 |
Canonical SMILES: | CC(C)OC1=C(C=C(C=C1)C=O)Br |
InChI: | InChI=1S/C10H11BrO2/c1-7(2)13-10-4-3-8(6-12)5-9(10)11/h3-7H,1-2H3 |
InChI Key: | QKKWLPJYKNZGRV-UHFFFAOYSA-N |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.99424 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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