4-(Benzyloxy)phenylacetyl Chloride - CAS 39188-62-0

Catalog:	BB023871
Product Name:	4-(Benzyloxy)phenylacetyl Chloride
CAS:	39188-62-0
Synonyms:	2-(4-phenylmethoxyphenyl)acetyl chloride; 2-(4-phenylmethoxyphenyl)acetyl chloride

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Computed Properties

IUPAC Name:	2-(4-phenylmethoxyphenyl)acetyl chloride
Description:	4-(Benzyloxy)phenylacetyl Chloride (CAS# 39188-62-0) is a useful research chemical.
Molecular Weight:	260.72
Molecular Formula:	C15H13ClO2
Canonical SMILES:	C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)Cl
InChI:	InChI=1S/C15H13ClO2/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2
InChI Key:	GZAGJMNAVUCWGM-UHFFFAOYSA-N
Boiling Point:	387.6 °C at 760 mmHg
Density:	1.21 g/cm³
Appearance:	Solid
LogP:	3.57350

Publication Number	Title	Priority Date
EP-3648766-A1	Peptide and small molecule agonists of epha and their uses	20170706
WO-2019010180-A1	PEPTIDE AND SMALL MOLECULE AGONISTS OF EPHA AND USES THEREOF	20170706
US-2020222405-A1	Peptide and small molecule agonists of epha and their uses	20170706
CN-107074788-B	Substituted heterocycle derivative, preparation method and use	20141031
US-10174015-B2	Substituted heterocyclic derivative, preparation method and use thereof	20141031

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GHS Hazard Statement:	H290 (100%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501
Signal Word:	Danger

Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	260.0604073
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	260.0604073
Rotatable Bond Count:	5
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7