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N-Boc-2-hydroxybenzimidazole

CAT: 0024-sc-286391Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-286391Size:250 mg
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CAS Number
161468-45-7

Chemical Information

tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate
CAS Number161468-45-7
PubChem CID2756037
IUPAC Nametert-butyl 2-oxo-3H-benzimidazole-1-carboxylate
Molecular FormulaC12H14N2O3
Molecular Weight234.25
XLogP1.9
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity335
SMILES
CC(C)(C)OC(=O)N1C2=CC=CC=C2NC1=O
InChI
InChI=1S/C12H14N2O3/c1-12(2,3)17-11(16)14-9-7-5-4-6-8(9)13-10(14)15/h4-7H,1-3H3,(H,13,15)
InChIKey
GMUWCTKADZFKLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 2-oxo-2,3-dihydro-1H-benzimidazole-1-carboxylate
CAS: 161468-45-7
CID: 2756037
Formula: C12H14N2O3
MW: 234.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.25
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass234.10044231
Monoisotopic Mass234.10044231
Topological Polar Surface Area58.6 Ų
Heavy Atom Count17
Formal Charge0
Complexity335
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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Alternative Products

CatalogName
265390-01N-Boc-2-hydroxybenzimidazole
239975-01N-Boc-2-hydroxybenzimidazole ≥97% (HPLC)
278763-012-Hydroxybenzimidazole
HY-W008003R-012-Hydroxybenzimidazole (Standard)
2817075-Methoxy-2-hydroxybenzimidazole
D3449-50C5,6-Diamino-2-hydroxybenzimidazole
TRC-D416340-10MG5,6-Diamino-2-hydroxybenzimidazole Dihydrochloride
D3449-505,6-Diamino-2-hydroxybenzimidazole, Dihydrochloride

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