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Home > Nitro Compounds > 1170522-30-1
1170522-30-1 | 5-nitro-1-propyl-pyrazole
CAS No: 1170522-30-1 Catalog No: AG00HDS5 MDL No:MFCD09468158
Product Description
Catalog Number:
AG00HDS5
Chemical Name:
5-nitro-1-propyl-pyrazole
CAS Number:
1170522-30-1
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD09468158
IUPAC Name:
5-nitro-1-propylpyrazole
InChI:
InChI=1S/C6H9N3O2/c1-2-5-8-6(9(10)11)3-4-7-8/h3-4H,2,5H2,1H3
InChI Key:
DYVUOKAQZXKGML-UHFFFAOYSA-N
SMILES:
CCCn1nccc1[N+](=O)[O-]
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.069g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.157g/mol
Monoisotopic Mass:
155.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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