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58793-47-8

58793-47-8 | 1H-Pyrazole, 1-ethyl-5-nitro-

CAS No: 58793-47-8 Catalog No: AG00IAGC MDL No:MFCD08559080

Product Description

Catalog Number:
AG00IAGC
Chemical Name:
1H-Pyrazole, 1-ethyl-5-nitro-
CAS Number:
58793-47-8
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD08559080
IUPAC Name:
1-ethyl-5-nitropyrazole
InChI:
InChI=1S/C5H7N3O2/c1-2-7-5(8(9)10)3-4-6-7/h3-4H,2H2,1H3
InChI Key:
GOYNSKFWMUFADH-UHFFFAOYSA-N
SMILES:
CCn1nccc1[N+](=O)[O-]

Properties

Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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