Home Halogens (4-bromo-1-ethyl-1H-1,2,3-triazol-5-yl)methanol

(4-bromo-1-ethyl-1H-1,2,3-triazol-5-yl)methanol

CAS No.:
2060040-11-9
Catalog Number:
AG01BQBO
Molecular Formula:
C5H8BrN3O
Molecular Weight:
206.0405
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Product Description
Catalog Number:
AG01BQBO
Chemical Name:
(4-bromo-1-ethyl-1H-1,2,3-triazol-5-yl)methanol
CAS Number:
2060040-11-9
Molecular Formula:
C5H8BrN3O
Molecular Weight:
206.0405
MDL Number:
MFCD30501251
IUPAC Name:
(5-bromo-3-ethyltriazol-4-yl)methanol
InChI:
InChI=1S/C5H8BrN3O/c1-2-9-4(3-10)5(6)7-8-9/h10H,2-3H2,1H3
InChI Key:
LHVRUNORNIRDCP-UHFFFAOYSA-N
SMILES:
OCc1c(Br)nnn1CC
Properties
Complexity:
113  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.985g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.043g/mol
Monoisotopic Mass:
204.985g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties