3-Chloro-1-phenyl-2-propen-1-one - CAS 3306-07-8
Catalog: |
BB021536 |
Product Name: |
3-Chloro-1-phenyl-2-propen-1-one |
CAS: |
3306-07-8 |
Synonyms: |
(E)-3-chloro-1-phenylprop-2-en-1-one |
IUPAC Name: | (E)-3-chloro-1-phenylprop-2-en-1-one |
Description: | 3-Chloro-1-phenyl-2-propen-1-one (CAS# 3306-07-8 ) is a useful research chemical. |
Molecular Weight: | 166.60 |
Molecular Formula: | C9H7ClO |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)C=CCl |
InChI: | InChI=1S/C9H7ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-7H/b7-6+ |
InChI Key: | MHZUGELJKUYWQA-VOTSOKGWSA-N |
LogP: | 2.62180 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-0486782-B1 | Improved process for the synthesis of alpha-((dialkylamino)substituted-methylene)-beta-oxo-(substituted) propanenitriles | 19901113 |
JP-S62234066-A | Phenylpyridine derivative | 19860401 |
US-3957817-A | 3-aryl-7-pyrazolyl-coumarins | 19681105 |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 166.0185425 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.0185425 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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