Deltamethrin-d5

CAT: 0926-SYB63323-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-SYB63323-01Size:1 mg

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CAS Number

1217633-23-2

MDL Number

MFCD09840317

Smiles

CC1 (C (C1C (=O) OC (C#N) C2=CC (=CC=C2) OC3=CC=CC=C3) C=C (Br) Br) C

Molecular Formula

C22H19Br2NO3

Molecular Weight

510.2 g/mol

Controlled

Chemical Information

Deltamethrin-d5

CAS Number	1217633-23-2
PubChem CID	46780592
IUPAC Name	[cyano-[3-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]methyl] 3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Molecular Formula	C22H19Br2NO3
Molecular Weight	510.2
XLogP	6.2
Topological Polar Surface Area	59.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	643

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC=CC(=C2)C(C#N)OC(=O)C3C(C3(C)C)C=C(Br)Br)[2H])[2H]

InChI

InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/i3D,4D,5D,8D,9D

InChIKey

OWZREIFADZCYQD-YQYLVRRTSA-N

Chemical Structure

2D Structure

CAS: 1217633-23-2

CID: 46780592

Formula: C22H19Br2NO3

MW: 510.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	510.2
XLogP3	6.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	510.00250
Monoisotopic Mass	508.00455
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	643
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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NXB26534-01	Norfluoxetine-d5 hydrochloride (phenyl-d5)
SYB64864-01	(R) -Norfluoxetine-d5 (phenyl-d5)
LBC58892-01	(±) -Mdea-d5 hydrochloride (ethyl-d5)
SYB84403-01	Tosedostat-d5
SYB71612-01	Zofenoprilat-d5
SYB61662-01	Alvimopan-d5
RYB95313-01	Ebastine-d5

Catalog	Name
AR-D01389-01	Deltamethrin-d5
CS-O-54471	Deltamethrin- (phenoxy-D5)
HY-W653769	Deltamethrin-d5 (Mixture of Diastereomers)
007915	Deltamethrin