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Home > Nitro Compounds > 1240566-63-5
1240566-63-5 | 1-(2,2-dimethoxypropyl)-3-nitro-1H-pyrazole
CAS No: 1240566-63-5 Catalog No: AG00JUZR MDL No:MFCD16810643
Product Description
Catalog Number:
AG00JUZR
Chemical Name:
1-(2,2-dimethoxypropyl)-3-nitro-1H-pyrazole
CAS Number:
1240566-63-5
Molecular Formula:
C8H13N3O4
Molecular Weight:
215.2065
MDL Number:
MFCD16810643
IUPAC Name:
1-(2,2-dimethoxypropyl)-3-nitropyrazole
InChI:
InChI=1S/C8H13N3O4/c1-8(14-2,15-3)6-10-5-4-7(9-10)11(12)13/h4-5H,6H2,1-3H3
InChI Key:
SEFPZFKGHGDFOU-UHFFFAOYSA-N
SMILES:
COC(Cn1ccc(n1)[N+](=O)[O-])(OC)C
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.209g/mol
Monoisotopic Mass:
215.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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