Flubendazole EP Impurity F

CAT: 1596-AR-F10234-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-F10234-01Size:10 Units

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

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CAS Number

132119-20-1

Synonyms

Methyl (5- (4-fluorobenzoyl) -1-methyl-1H-benzo[d]imidazol-2-yl) carbamate

Molecular Formula

C17H14FN3O3

Molecular Weight

327.32

API Name

Flubendazole

Chemical Information

Carbamic acid, [5-(4-fluorobenzoyl)-1-methyl-1H-benzimidazol-2-yl]-, methyl ester

CAS Number	132119-20-1
PubChem CID	129318575
IUPAC Name	methyl N-[5-(4-fluorobenzoyl)-1-methylbenzimidazol-2-yl]carbamate
Molecular Formula	C17H14FN3O3
Molecular Weight	327.31
XLogP	1.7
Topological Polar Surface Area	73.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	24
Formal Charge	0
Complexity	482

SMILES

CN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)F)N=C1NC(=O)OC

InChI

InChI=1S/C17H14FN3O3/c1-21-14-8-5-11(15(22)10-3-6-12(18)7-4-10)9-13(14)19-16(21)20-17(23)24-2/h3-9H,1-2H3,(H,19,20,23)

InChIKey

NNLLDAJLQCHALY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132119-20-1

CID: 129318575

Formula: C17H14FN3O3

MW: 327.31

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	327.31
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	327.10191948
Monoisotopic Mass	327.10191948
Topological Polar Surface Area	73.2 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	482
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