Pyraclostrobin Impurity 2

CAT: 1596-AR-P33226-04Size: 100 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-P33226-04Size:100 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

222838-33-7

Molecular Formula

C16H14ClN3O

Molecular Weight

299.76

API Name

Pyraclostrobin

Chemical Information

2-[[[1-(4-Chlorophenyl)-1H-pyrazol-3-yl]oxy]methyl]benzenamine

CAS Number	222838-33-7
PubChem CID	11748568
IUPAC Name	2-[[1-(4-chlorophenyl)pyrazol-3-yl]oxymethyl]aniline
Molecular Formula	C16H14ClN3O
Molecular Weight	299.75
XLogP	3.6
Topological Polar Surface Area	53.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	323

SMILES

C1=CC=C(C(=C1)COC2=NN(C=C2)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C16H14ClN3O/c17-13-5-7-14(8-6-13)20-10-9-16(19-20)21-11-12-3-1-2-4-15(12)18/h1-10H,11,18H2

InChIKey

LIUOORDMFAVVFQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 222838-33-7

CID: 11748568

Formula: C16H14ClN3O

MW: 299.75

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.75
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	299.0825398
Monoisotopic Mass	299.0825398
Topological Polar Surface Area	53.1 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	323
Isotope Atom Count	0
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

Catalog	Name
AR-P33229-01	Pyraclostrobin Impurity 5
AR-P33228-01	Pyraclostrobin Impurity 4
AR-P03250-01	Pyraclostrobin Impurity 1
AR-P33227-01	Pyraclostrobin Impurity 3
AR-P03249-01	Pyraclostrobin
AR-N01598-01	Nintedanib Impurity 2 (Intedanib Impurity 2)
AR-D02359-01	Doxofylline Impurity 2 (Theophylline Impurity 2)
AR-L02048-01	Loxoprofen Impurity 2 (Dimer Impurity)
AR-O01522-01	Oseltamivir Impurity B (2-Azido Impurity)
AR-L07281-01	Limonene Impurity 2

Catalog	Name
CS-O-60190	Pyraclostrobin N-Oxide Dimer Impurity
BA1241-250	Pyraclostrobin
TRC-P840402-10MG	Pyraclostrobin-d6
HY-N6626R-01	Pyraclostrobin (Standard)
165730	Anti Pyraclostrobin Pab
GTR19150914	Pyraclostrobin-KLH conj.
GTR19150819	Pyraclostrobin-BSA conj.
GTR19150725	Pyraclostrobin-OVA conj.
TRC-D231842-10MG	O-Demethyl Pyraclostrobin-d3