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IBC 293

CAT: 0127-BUP06882-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06882-02Size:25 mg
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CAS Number
306935-41-1
Synonyms
IBC293, IBC-293
Purity
=98%
Smiles
CC(C)N1N=NC2=CC(=CC=C12)C(O)=O

Chemical Information

Ibc 293

1-propan-2-yl-5-benzotriazolecarboxylic acid is a member of benzotriazoles.

CAS Number306935-41-1
PubChem CID2736690
IUPAC Name1-propan-2-ylbenzotriazole-5-carboxylic acid
Molecular FormulaC10H11N3O2
Molecular Weight205.21
XLogP1.5
Topological Polar Surface Area68
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity257
SMILES
CC(C)N1C2=C(C=C(C=C2)C(=O)O)N=N1
InChI
InChI=1S/C10H11N3O2/c1-6(2)13-9-4-3-7(10(14)15)5-8(9)11-12-13/h3-6H,1-2H3,(H,14,15)
InChIKey
RUTVRAJKELSHCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ibc 293
CAS: 306935-41-1
CID: 2736690
Formula: C10H11N3O2
MW: 205.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight205.21
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass205.085126602
Monoisotopic Mass205.085126602
Topological Polar Surface Area68 Ų
Heavy Atom Count15
Formal Charge0
Complexity257
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