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Home > Nitro Compounds > 1006523-68-7
1006523-68-7 | 4-nitro-1-[(oxolan-2-yl)methyl]-1H-pyrazole
CAS No: 1006523-68-7 Catalog No: AG00JV14 MDL No:MFCD02755679
Product Description
Catalog Number:
AG00JV14
Chemical Name:
4-nitro-1-[(oxolan-2-yl)methyl]-1H-pyrazole
CAS Number:
1006523-68-7
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD02755679
IUPAC Name:
4-nitro-1-(oxolan-2-ylmethyl)pyrazole
InChI:
InChI=1S/C8H11N3O3/c12-11(13)7-4-9-10(5-7)6-8-2-1-3-14-8/h4-5,8H,1-3,6H2
InChI Key:
KQTCKXRXKVVUSN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)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:
0.4
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