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Home > Nitro Compounds > 1006523-17-6
1006523-17-6 | 3-nitro-1-[(oxolan-2-yl)methyl]-1H-pyrazole
CAS No: 1006523-17-6 Catalog No: AG00JUYQ MDL No:MFCD02755640
Product Description
Catalog Number:
AG00JUYQ
Chemical Name:
3-nitro-1-[(oxolan-2-yl)methyl]-1H-pyrazole
CAS Number:
1006523-17-6
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD02755640
IUPAC Name:
3-nitro-1-(oxolan-2-ylmethyl)pyrazole
InChI:
InChI=1S/C8H11N3O3/c12-11(13)8-3-4-10(9-8)6-7-2-1-5-14-7/h3-4,7H,1-2,5-6H2
InChI Key:
SMZUCBGIUVTXMW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CC1CCCO1
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:
0.7
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