3,5-Dichloro-4-(prop-2-yn-1-yloxy)benzaldehyde - CAS 426229-84-7
Catalog: |
BB025186 |
Product Name: |
3,5-Dichloro-4-(prop-2-yn-1-yloxy)benzaldehyde |
CAS: |
426229-84-7 |
Synonyms: |
3,5-dichloro-4-prop-2-ynoxybenzaldehyde |
IUPAC Name: | 3,5-dichloro-4-prop-2-ynoxybenzaldehyde |
Description: | 3,5-Dichloro-4-(prop-2-yn-1-yloxy)benzaldehyde (CAS# 426229-84-7) is a useful research chemical. |
Molecular Weight: | 229.06 |
Molecular Formula: | C10H6Cl2O2 |
Canonical SMILES: | C#CCOC1=C(C=C(C=C1Cl)C=O)Cl |
InChI: | InChI=1S/C10H6Cl2O2/c1-2-3-14-10-8(11)4-7(6-13)5-9(10)12/h1,4-6H,3H2 |
InChI Key: | GBYFSVNODFASGY-UHFFFAOYSA-N |
Boiling Point: | 345.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.381 g/cm3 |
MDL: | MFCD02604916 |
LogP: | 2.81790 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P321, P330, P332+P313, P362, and P501 |
Signal Word: | Warning |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.9744848 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.9744848 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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