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Home > Nitro Compounds > 1172048-85-9
1172048-85-9 | 4-nitro-1-(tetrahydrofuran-3-ylmethyl)pyrazole
CAS No: 1172048-85-9 Catalog No: AG019DE6 MDL No:MFCD10001549
Product Description
Catalog Number:
AG019DE6
Chemical Name:
4-nitro-1-(tetrahydrofuran-3-ylmethyl)pyrazole
CAS Number:
1172048-85-9
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD10001549
IUPAC Name:
4-nitro-1-(oxolan-3-ylmethyl)pyrazole
InChI:
InChI=1S/C8H11N3O3/c12-11(13)8-3-9-10(5-8)4-7-1-2-14-6-7/h3,5,7H,1-2,4,6H2
InChI Key:
OPVYVSDXZYGHDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)CC1COCC1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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