Hydroxy Flubendazole

CAT: 1596-AR-F10235-04Size: 100 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-F10235-04Size:100 Units

Selected

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

Quick Request Actions

CAS Number

82050-12-2

Synonyms

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

Molecular Formula

C16H14FN3O3

Molecular Weight

315.30

API Name

Flubendazole

Chemical Information

Reduced-flubendazole

CAS Number	82050-12-2
PubChem CID	10313591
IUPAC Name	methyl N-[6-[(4-fluorophenyl)-hydroxymethyl]-1H-benzimidazol-2-yl]carbamate
Molecular Formula	C16H14FN3O3
Molecular Weight	315.30
XLogP	2.4
Topological Polar Surface Area	87.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	417

SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(C3=CC=C(C=C3)F)O

InChI

InChI=1S/C16H14FN3O3/c1-23-16(22)20-15-18-12-7-4-10(8-13(12)19-15)14(21)9-2-5-11(17)6-3-9/h2-8,14,21H,1H3,(H2,18,19,20,22)

InChIKey

GONRXGWUUBPRKF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82050-12-2

CID: 10313591

Formula: C16H14FN3O3

MW: 315.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.30
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	315.10191948
Monoisotopic Mass	315.10191948
Topological Polar Surface Area	87.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	417
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes