Chlorimuron Impurity 2

CAT: 1596-AR-C07156-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-C07156-05Size:150

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CAS Number

252557-66-7

Molecular Formula

C14H12Cl2N4O5S

Molecular Weight

419.23

API Name

Chlorimuron

Chemical Information

Dichloro Chlorimuron

CAS Number	252557-66-7
PubChem CID	10764518
IUPAC Name	ethyl 2-[(4,6-dichloropyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Molecular Formula	C14H12Cl2N4O5S
Molecular Weight	419.2
XLogP	3.4
Topological Polar Surface Area	136
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	26
Formal Charge	0
Complexity	605

SMILES

CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)Cl

InChI

InChI=1S/C14H12Cl2N4O5S/c1-2-25-12(21)8-5-3-4-6-9(8)26(23,24)20-14(22)19-13-17-10(15)7-11(16)18-13/h3-7H,2H2,1H3,(H2,17,18,19,20,22)

InChIKey

CYTWFZAPQDSAHQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 252557-66-7

CID: 10764518

Formula: C14H12Cl2N4O5S

MW: 419.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	419.2
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	417.9905461
Monoisotopic Mass	417.9905461
Topological Polar Surface Area	136 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	605
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-C07155-01	Chlorimuron Impurity 1
AR-C07158-01	Chlorimuron
AR-C07157-01	N-Nitroso Chlorimuron
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
AR-L01372-01	Lesinurad Impurity 2
AR-B08105-01	Levetiracetam Impurity 2

Catalog	Name
RM-C531805-01	Chlorimuron-Ethyl
TRC-D434021-100MG	Dichloro Chlorimuron
S-3927	Chlorimuron - 1ML
C109-10MG	Chlorimuron ethyl
TRC-D468350-100MG	Dimethoxy Chlorimuron
TRC-C371274-2.5MG	Chlorimuron-ethyl-d5
HY-W040262R-01	Chlorimuron-ethyl (Standard)
LCS-3927	1000 ug/mL Chlorimuron-ethyl in HPLC Acetonitrile
RM-G271003-01	Gc376 Impurity 3; Nirmatrelvir Impurity
RM-G271002-01	Gc376 Impurity 2; Nirmatrelvir Impurity