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Home > Nitro Compounds > 1003011-58-2
1003011-58-2 | 3-nitro-1-propyl-1H-pyrazole
CAS No: 1003011-58-2 Catalog No: AG00JUZ5 MDL No:MFCD08558133
Product Description
Catalog Number:
AG00JUZ5
Chemical Name:
3-nitro-1-propyl-1H-pyrazole
CAS Number:
1003011-58-2
Molecular Formula:
C6H9N3O2
Molecular Weight:
155.1546
MDL Number:
MFCD08558133
IUPAC Name:
3-nitro-1-propylpyrazole
InChI:
InChI=1S/C6H9N3O2/c1-2-4-8-5-3-6(7-8)9(10)11/h3,5H,2,4H2,1H3
InChI Key:
BXOIIAJTJVXWAH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCC
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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