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Home > Nitro Compounds > 1240568-18-6
1240568-18-6 | 3-nitro-1-(3-phenoxypropyl)-1H-pyrazole
CAS No: 1240568-18-6 Catalog No: AG00JUYR MDL No:MFCD16810591
Product Description
Catalog Number:
AG00JUYR
Chemical Name:
3-nitro-1-(3-phenoxypropyl)-1H-pyrazole
CAS Number:
1240568-18-6
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD16810591
IUPAC Name:
3-nitro-1-(3-phenoxypropyl)pyrazole
InChI:
InChI=1S/C12H13N3O3/c16-15(17)12-7-9-14(13-12)8-4-10-18-11-5-2-1-3-6-11/h1-3,5-7,9H,4,8,10H2
InChI Key:
NCYBSGFYRHLFKZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCCOc1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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