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Home > Nitro Compounds > 1240566-55-5
1240566-55-5 | 1-[2-(1,3-dioxan-2-yl)ethyl]-3-nitro-1H-pyrazole
CAS No: 1240566-55-5 Catalog No: AG00JUZO MDL No:MFCD16810638
Product Description
Catalog Number:
AG00JUZO
Chemical Name:
1-[2-(1,3-dioxan-2-yl)ethyl]-3-nitro-1H-pyrazole
CAS Number:
1240566-55-5
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
MDL Number:
MFCD16810638
IUPAC Name:
1-[2-(1,3-dioxan-2-yl)ethyl]-3-nitropyrazole
InChI:
InChI=1S/C9H13N3O4/c13-12(14)8-2-4-11(10-8)5-3-9-15-6-1-7-16-9/h2,4,9H,1,3,5-7H2
InChI Key:
RGLFJMYDQJRZQR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCC1OCCCO1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.091g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.22g/mol
Monoisotopic Mass:
227.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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