Home Other Building Blocks 1-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride

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

CAS No.:
2031260-40-7
Catalog Number:
AG01B7EG
Molecular Formula:
C4H8ClN3O
Molecular Weight:
149.5788
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Product Description
Catalog Number:
AG01B7EG
Chemical Name:
1-(4H-1,2,4-triazol-3-yl)ethan-1-ol hydrochloride
CAS Number:
2031260-40-7
Molecular Formula:
C4H8ClN3O
Molecular Weight:
149.5788
MDL Number:
MFCD30345291
IUPAC Name:
1-(1H-1,2,4-triazol-5-yl)ethanol;hydrochloride
InChI:
InChI=1S/C4H7N3O.ClH/c1-3(8)4-5-2-6-7-4;/h2-3,8H,1H3,(H,5,6,7);1H
InChI Key:
SZLCHAKTKBLJGC-UHFFFAOYSA-N
SMILES:
CC(c1nnc[nH]1)O.Cl
Properties
Complexity:
77.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.036g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
149.578g/mol
Monoisotopic Mass:
149.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties