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Home > Nitro Compounds > 1240574-06-4
1240574-06-4 | 1-[2-(1,3-dioxan-2-yl)ethyl]-4-nitro-1H-pyrazole
CAS No: 1240574-06-4 Catalog No: AG00JV1R MDL No:
Product Description
Catalog Number:
AG00JV1R
Chemical Name:
1-[2-(1,3-dioxan-2-yl)ethyl]-4-nitro-1H-pyrazole
CAS Number:
1240574-06-4
Molecular Formula:
C9H13N3O4
Molecular Weight:
227.2172
IUPAC Name:
1-[2-(1,3-dioxan-2-yl)ethyl]-4-nitropyrazole
InChI:
InChI=1S/C9H13N3O4/c13-12(14)8-6-10-11(7-8)3-2-9-15-4-1-5-16-9/h6-7,9H,1-5H2
InChI Key:
VTVUUTRIYVAEND-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)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:
0.4
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