2-Ethylbenzoyl chloride - CAS 76118-05-3
Catalog: |
BB035499 |
Product Name: |
2-Ethylbenzoyl chloride |
CAS: |
76118-05-3 |
Synonyms: |
2-ethylbenzoyl chloride |
IUPAC Name: | 2-ethylbenzoyl chloride |
Description: | 2-Ethylbenzoyl chloride (CAS# 76118-05-3 ) is a useful research chemical. |
Molecular Weight: | 168.62 |
Molecular Formula: | C9H9ClO |
Canonical SMILES: | CCC1=CC=CC=C1C(=O)Cl |
InChI: | InChI=1S/C9H9ClO/c1-2-7-5-3-4-6-8(7)9(10)11/h3-6H,2H2,1H3 |
InChI Key: | PJGFNNXYKMSCCU-UHFFFAOYSA-N |
MDL: | MFCD12024946 |
LogP: | 2.62800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2020158432-A | Ester compounds and methods for producing them, plasticizers for thermoplastic resins, and thermoplastic resin compositions. | 20190326 |
CN-105777545-A | Preparation method of alpha-fluorinated acrylate | 20160406 |
US-2017129849-A1 | Process for the preparation of 2-(trihalomethyl) benzamide | 20140616 |
AU-2015239548-A1 | Amido-substituted azole compounds as inhibitors of TNKS1 and/or TNKS2 | 20140402 |
CA-2944370-A1 | Amido-substituted azole compounds | 20140402 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0341926 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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