Phenylacetyl-d5 Chloride

CAT: 0572-TRC-B188802-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-B188802-100MGSize:100 mg

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CAS Number

216966-11-9

Synonyms

2-Phenylacetyl-d5 Chloride; 2-Phenylethanoyl-d5 Chloride; Phenylacetic-d5 Acid Chloride; Phenylacetic-d5 Chloride; Phenylacetyl-d5 Chloride; α-Phenylacetyl-d5 Chloride

Hazard Statement

No Data Available; UN number: UN2577; Packing Group: II

Purity

>95% (HPLC)

Smiles

ClC(CC1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])=O

Molecular Formula

C8H2D5ClO

Molecular Weight

159.62

Shipping Conditions

Dry Pack

Storage Conditions

+4°C

Chemical Information

Phenylacetyl-d5 Chloride

CAS Number	216966-11-9
PubChem CID	169434048
IUPAC Name	2-(2,3,4,5,6-pentadeuteriophenyl)acetyl chloride
Molecular Formula	C8H7ClO
Molecular Weight	159.62
XLogP	2.4
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	116

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])CC(=O)Cl)[2H])[2H]

InChI

InChI=1S/C8H7ClO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2/i1D,2D,3D,4D,5D

InChIKey

VMZCDNSFRSVYKQ-RALIUCGRSA-N

Chemical Structure

2D Structure

CAS: 216966-11-9

CID: 169434048

Formula: C8H7ClO

MW: 159.62

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	159.62
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	159.0499263
Monoisotopic Mass	159.0499263
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	116
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
CS-T-95214	Phenylacetyl-d5 Chloride
RG-A262319-01	Phenylacetyl Chloride
1986B 02500	Phenylacetyl Chloride 97.5%
ZCA42651	4- (Trifluoromethyl) phenylacetyl chloride
sc-356649A	3- (Trifluoromethyl) phenylacetyl chloride
PC408281	2- (Trifluoromethyl) phenylacetyl chloride
ABA72604-01	2-Oxo-2-phenylacetyl chloride
OR1072316-01	2-Bromo-2-phenylacetyl chloride
FT105924	(R) - (-) -α-Methoxy-α- (trifluoromethyl) phenylacetyl chloride
OR46683	2-Hydroxy-2-phenylacetyl chloride

Phenylacetyl-d5 Chloride

Chemical Information

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