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

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

CAS No.:
1864052-48-1
Catalog Number:
AG01C1BK
Molecular Formula:
C4H6ClN3O
Molecular Weight:
147.5629
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Product Description
Catalog Number:
AG01C1BK
Chemical Name:
1-(1H-1,2,3-triazol-4-yl)ethan-1-one hydrochloride
CAS Number:
1864052-48-1
Molecular Formula:
C4H6ClN3O
Molecular Weight:
147.5629
MDL Number:
MFCD29041361
IUPAC Name:
1-(2H-triazol-4-yl)ethanone;hydrochloride
InChI:
InChI=1S/C4H5N3O.ClH/c1-3(8)4-2-5-7-6-4;/h2H,1H3,(H,5,6,7);1H
InChI Key:
ZHOMUJADFYKONX-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]nn1.Cl
Properties
Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.02g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
147.562g/mol
Monoisotopic Mass:
147.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties