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Home > Nitro Compounds > 1006570-60-0
1006570-60-0 | 1-(2-ethoxyethyl)-4-nitro-1H-pyrazole
CAS No: 1006570-60-0 Catalog No: AG00JV13 MDL No:MFCD02029340
Product Description
Catalog Number:
AG00JV13
Chemical Name:
1-(2-ethoxyethyl)-4-nitro-1H-pyrazole
CAS Number:
1006570-60-0
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
MDL Number:
MFCD02029340
IUPAC Name:
1-(2-ethoxyethyl)-4-nitropyrazole
InChI:
InChI=1S/C7H11N3O3/c1-2-13-4-3-9-6-7(5-8-9)10(11)12/h5-6H,2-4H2,1H3
InChI Key:
OBKDSOFHXAISOY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)CCOCC
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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