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Home > Nitro Compounds > 1006568-54-2
1006568-54-2 | 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-nitro-1H-pyrazole
CAS No: 1006568-54-2 Catalog No: AG00JUZD MDL No:MFCD02029249
Product Description
Catalog Number:
AG00JUZD
Chemical Name:
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-nitro-1H-pyrazole
CAS Number:
1006568-54-2
Molecular Formula:
C8H11N3O4
Molecular Weight:
213.1906
MDL Number:
MFCD02029249
IUPAC Name:
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-nitropyrazole
InChI:
InChI=1S/C8H11N3O4/c12-11(13)7-1-3-10(9-7)4-2-8-14-5-6-15-8/h1,3,8H,2,4-6H2
InChI Key:
ISHYNLFBYIDLCD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)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:
0.3
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