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Home > Nitro Compounds > 1006570-90-6
1006570-90-6 | 1-[2-(1,3-dioxolan-2-yl)ethyl]-4-nitro-1H-pyrazole
CAS No: 1006570-90-6 Catalog No: AG00JV1G MDL No:MFCD02029344
Product Description
Catalog Number:
AG00JV1G
Chemical Name:
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-nitro-1H-pyrazole
CAS Number:
1006570-90-6
Molecular Formula:
C8H11N3O4
Molecular Weight:
213.1906
MDL Number:
MFCD02029344
IUPAC Name:
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-nitropyrazole
InChI:
InChI=1S/C8H11N3O4/c12-11(13)7-5-9-10(6-7)2-1-8-14-3-4-15-8/h5-6,8H,1-4H2
InChI Key:
SLPJGDCIJSBQAU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CCC1OCCO1
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.193g/mol
Monoisotopic Mass:
213.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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