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Home > Bromides > 1000339-34-3
1000339-34-3 | 1H-1,2,3-Triazole-4-methanol, 1-(4-bromophenyl)-α,α-dimethyl-
CAS No: 1000339-34-3 Catalog No: AG0000CE MDL No:MFCD09878410
Product Description
Catalog Number:
AG0000CE
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
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
Literature
| Title | Journal |
|---|---|
| Synthesis of 1,2,3-triazole derivatives and in vitro antifungal evaluation on Candida strains. | Molecules (Basel, Switzerland) 20120516 |
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