Biphenyl-3-carbonyl chloride - CAS 42498-44-2
Catalog: |
BB025145 |
Product Name: |
Biphenyl-3-carbonyl chloride |
CAS: |
42498-44-2 |
Synonyms: |
3-phenylbenzoyl chloride |
IUPAC Name: | 3-phenylbenzoyl chloride |
Description: | Biphenyl-3-carbonyl chloride (CAS# 42498-44-2 ) is a useful research chemical. |
Molecular Weight: | 216.66 |
Molecular Formula: | C13H9ClO |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)Cl |
InChI: | InChI=1S/C13H9ClO/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9H |
InChI Key: | FJAFGSULCGOKPU-UHFFFAOYSA-N |
MDL: | MFCD03789030 |
LogP: | 3.73260 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2020158432-A | Ester compounds and methods for producing them, plasticizers for thermoplastic resins, and thermoplastic resin compositions. | 20190326 |
WO-2020080979-A1 | Pfkfb3 inhibitors and their uses | 20181015 |
EP-3867226-A1 | Pfkfb3 inhibitors and their uses | 20181015 |
CN-111247649-A | Heterocyclic compound and organic light-emitting device comprising same | 20180928 |
WO-2020067595-A1 | Heterocyclic compound and organic light emitting diode comprising same | 20180928 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0341926 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0341926 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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