Home Bromides 1000339-34-3
1000339-34-3,MFCD09878410
Catalog No.:AA00009M
1000339-34-3 | 1H-1,2,3-Triazole-4-methanol, 1-(4-bromophenyl)-α,α-dimethyl-
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA00009M
Chemical Name:
1H-1,2,3-Triazole-4-methanol, 1-(4-bromophenyl)-α,α-dimethyl-
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
InChI:
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
InChI Key:
RSIHPLASTHLNBG-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1nnc(c1)C(O)(C)C
Properties
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  

Synonyms
 
2-(1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)propan-2-ol 
1000339-34-3 
RTR-000021 
AJ-95726 
AX8243436 
BC4717384 
TR-000021 
Z6217 
A-4026 
2-[1-(4-bromophenyl)triazol-4-yl]propan-2-ol 
I14-24834 
1H-1,2,3-Triazole-4-methanol, 1-(4-bromophenyl)-alpha,alpha-dimethyl- 
2-[1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl]propan-2-ol 
C11H12BrN3O 
ACMC-2097m6 
CTK3J8409 
DTXSID90674330 
ANW-14140 
MFCD09878410 
ZINC38536919 
AKOS015835615 
Literature

Title: Synthesis of 1,2,3-triazole derivatives and in vitro antifungal evaluation on Candida strains.

Journal: Molecules (Basel, Switzerland) 20120516

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