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Home > Nitro Compounds > 2089277-18-7
2089277-18-7 | 3-(4-nitro-1H-pyrazol-1-yl)cyclobutan-1-one
CAS No: 2089277-18-7 Catalog No: AG01BS5W MDL No:MFCD30537783
Product Description
Catalog Number:
AG01BS5W
Chemical Name:
3-(4-nitro-1H-pyrazol-1-yl)cyclobutan-1-one
CAS Number:
2089277-18-7
Molecular Formula:
C7H7N3O3
Molecular Weight:
181.1488
MDL Number:
MFCD30537783
IUPAC Name:
3-(4-nitropyrazol-1-yl)cyclobutan-1-one
InChI:
InChI=1S/C7H7N3O3/c11-7-1-5(2-7)9-4-6(3-8-9)10(12)13/h3-5H,1-2H2
InChI Key:
LQDSMCUMZVZXBY-UHFFFAOYSA-N
SMILES:
O=C1CC(C1)n1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.151g/mol
Monoisotopic Mass:
181.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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