2-Phenylpropionyl chloride - CAS 22414-26-2

Catalog:	BB017581
Product Name:	2-Phenylpropionyl chloride
CAS:	22414-26-2
Synonyms:	2-phenylpropanoyl chloride

Technical Data

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Computed Properties

IUPAC Name:	2-phenylpropanoyl chloride
Description:	2-Phenylpropionyl chloride (CAS# 22414-26-2) is a useful research chemical.
Molecular Weight:	168.62
Molecular Formula:	C9H9ClO
Canonical SMILES:	CC(C1=CC=CC=C1)C(=O)Cl
InChI:	InChI=1S/C9H9ClO/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:	FOTITZRWZUAVPH-UHFFFAOYSA-N
MDL:	MFCD03424723
LogP:	2.55550

Publication Number	Title	Priority Date
CN-113061098-A	Amide compound and derivative thereof, preparation method, pharmaceutical composition and application	20210118
WO-2021023144-A1	Fluorenoxime ester compound, preparation method therefor, and application thereof	20190807
WO-2020228436-A1	Aromatic ring or heteroaromatic ring derivatives, preparation method therefor and use thereof	20190510
WO-2020151589-A1	Acylamino bridged heterocyclic compound, and composition and application thereof	20190125
TW-202041507-A	Amido bridged heterocyclic compound, and composition and application thereof	20190125

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	139
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:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9