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Home > Nitro Compounds > 105958-72-3
105958-72-3 | 2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-ol
CAS No: 105958-72-3 Catalog No: AG019U0M MDL No:MFCD03059897
Product Description
Catalog Number:
AG019U0M
Chemical Name:
2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-ol
CAS Number:
105958-72-3
Molecular Formula:
C4H6N4O3
Molecular Weight:
158.1154
MDL Number:
MFCD03059897
IUPAC Name:
2-(3-nitro-1,2,4-triazol-1-yl)ethanol
InChI:
InChI=1S/C4H6N4O3/c9-2-1-7-3-5-4(6-7)8(10)11/h3,9H,1-2H2
InChI Key:
ZRPSEMIBVBQGIF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(cn1)CCO
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.044g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.117g/mol
Monoisotopic Mass:
158.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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