Home Halogens 2-(3-bromo-1H-1,2,4-triazol-1-yl)ethan-1-ol hydrochloride

2-(3-bromo-1H-1,2,4-triazol-1-yl)ethan-1-ol hydrochloride

CAS No.:
1803585-79-6
Catalog Number:
AG01AL3K
Molecular Formula:
C4H7BrClN3O
Molecular Weight:
228.4749
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Product Description
Catalog Number:
AG01AL3K
Chemical Name:
2-(3-bromo-1H-1,2,4-triazol-1-yl)ethan-1-ol hydrochloride
CAS Number:
1803585-79-6
Molecular Formula:
C4H7BrClN3O
Molecular Weight:
228.4749
MDL Number:
MFCD28954228
IUPAC Name:
2-(3-bromo-1,2,4-triazol-1-yl)ethanol;hydrochloride
InChI:
InChI=1S/C4H6BrN3O.ClH/c5-4-6-3-8(7-4)1-2-9;/h3,9H,1-2H2;1H
InChI Key:
XAQNTXDLWQCBDW-UHFFFAOYSA-N
SMILES:
OCCn1cnc(n1)Br.Cl
Properties
Complexity:
91.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.946g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.474g/mol
Monoisotopic Mass:
226.946g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties