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Albendazole Impurity G

CAT: 0572-TRC-M288735-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M288735-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20367-38-8
Synonyms
Fenbendazole Imp. B (EP); Fenbendazole USP Related Compound B; Fenbendazole USP RC B; N-(6-chloro-1H-benzimidazol-2-yl)-carbamic acid methyl ester; 2-Benzimidazolecarbamic acid, 5-chloro-, methyl ester (8CI); Carbamic acid, (5-chloro-1H-benzimidazol-2-yl)-, methyl ester (9CI); 2-[(Methoxycarbonyl)amino]-5-chlorobenzimidazole; G 981; Methyl (5-chloro-2-benzimidazolyl)carbamate; Fenbendazole Related Compound B; Albendazole Impurity G; Fenbendazole Impurity B
Hazard Statement
Very toxic to aquatic life; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
COC(=O)Nc1nc2cc(Cl)ccc2[nH]1
Molecular Formula
C9 H8 Cl N3 O2
Molecular Weight
225.63
InChI
InChI=1S/C9H8ClN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14)
Additionnal Information
IUPAC name: methyl N-(5-chloro-1H-benzimidazol-2-yl)carbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methyl (5-chloro-2-benzimidazolyl)carbamate
CAS Number20367-38-8
PubChem CID10263087
IUPAC Namemethyl N-(6-chloro-1H-benzimidazol-2-yl)carbamate
Molecular FormulaC9H8ClN3O2
Molecular Weight225.63
XLogP2.1
Topological Polar Surface Area67
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity252
SMILES
COC(=O)NC1=NC2=C(N1)C=C(C=C2)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-15-9(14)13-8-11-6-3-2-5(10)4-7(6)12-8/h2-4H,1H3,(H2,11,12,13,14)
InChIKey
VLEJNRYXCWJNPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl (5-chloro-2-benzimidazolyl)carbamate
CAS: 20367-38-8
CID: 10263087
Formula: C9H8ClN3O2
MW: 225.63
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.63
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass225.0305042
Monoisotopic Mass225.0305042
Topological Polar Surface Area67 Ų
Heavy Atom Count15
Formal Charge0
Complexity252
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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