Home  > 2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol

AA00246

1000339-34-3 | 2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol

Packsize Purity Availability Price Discounted Price    Quantity
1g 98% In Stock US $172.00 $120.00 -   +
5g 98% In Stock US $643.00 $450.00 -   +

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Description
Catalog Number: AA00246
Chemical Name: 2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol
CAS Number: 1000339-34-3
Molecular Formula: C11H12BrN3O
Molecular Weight: 282.1365
MDL Number: MFCD09878410
IUPAC Name: 2-[1-(4-bromophenyl)triazol-4-yl]propan-2-ol
InChl: InChI=1S/C11H12BrN3O/c1-11(2,16)10-7-15(14-13-10)9-5-3-8(12)4-6-9/h3-7,16H,1-2H3
InChl Key: RSIHPLASTHLNBG-UHFFFAOYSA-N
SMILES: Brc1ccc(cc1)n1nnc(c1)C(O)(C)C

 

Computed Properties
Complexity: 241  
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 281.016g/mol
Formal Charge: 0
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0
Molecular Weight: 282.141g/mol
Monoisotopic Mass: 281.016g/mol
Rotatable Bond Count: 2  
Topological Polar Surface Area: 50.9A^2
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.8  

 

 

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