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Home > Nitro Compounds > 1443278-67-8
1443278-67-8 | 2-(1-ISOPROPYL-4-NITRO-1H-PYRAZOL-3-YLOXYMETHYL)-PYRIDINE
CAS No: 1443278-67-8 Catalog No: AG01AORA MDL No:MFCD25949417
Product Description
Catalog Number:
AG01AORA
Chemical Name:
2-(1-ISOPROPYL-4-NITRO-1H-PYRAZOL-3-YLOXYMETHYL)-PYRIDINE
CAS Number:
1443278-67-8
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
MDL Number:
MFCD25949417
IUPAC Name:
2-[(4-nitro-1-propan-2-ylpyrazol-3-yl)oxymethyl]pyridine
InChI:
InChI=1S/C12H14N4O3/c1-9(2)15-7-11(16(17)18)12(14-15)19-8-10-5-3-4-6-13-10/h3-7,9H,8H2,1-2H3
InChI Key:
NLPVXVQQXBKIKT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1OCc1ccccn1)C(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.269g/mol
Monoisotopic Mass:
262.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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