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Home > Fluorides > 1003993-37-0
1003993-37-0 | 4-Nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole
CAS No: 1003993-37-0 Catalog No: AG01F7MG MDL No:
Product Description
Catalog Number:
AG01F7MG
Chemical Name:
4-Nitro-1-(3-trifluoromethyl-phenoxymethyl)-1H-pyrazole
CAS Number:
1003993-37-0
Molecular Formula:
C11H8F3N3O3
Molecular Weight:
287.1947
IUPAC Name:
4-nitro-1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazole
InChI:
InChI=1S/C11H8F3N3O3/c12-11(13,14)8-2-1-3-10(4-8)20-7-16-6-9(5-15-16)17(18)19/h1-6H,7H2
InChI Key:
LDGLHYNUVLOTKN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)COc1cccc(c1)C(F)(F)F
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.198g/mol
Monoisotopic Mass:
287.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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