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Home > Nitro Compounds > 1269291-40-8
1269291-40-8 | Pyrimidine, 2-[1-(2-nitrophenyl)-1H-pyrazol-5-yl]-
CAS No: 1269291-40-8 Catalog No: AG000TI0 MDL No:MFCD20275460
Product Description
Catalog Number:
AG000TI0
Chemical Name:
Pyrimidine, 2-[1-(2-nitrophenyl)-1H-pyrazol-5-yl]-
CAS Number:
1269291-40-8
Molecular Formula:
C13H9N5O2
Molecular Weight:
267.2429
MDL Number:
MFCD20275460
IUPAC Name:
2-[2-(2-nitrophenyl)pyrazol-3-yl]pyrimidine
InChI:
InChI=1S/C13H9N5O2/c19-18(20)11-5-2-1-4-10(11)17-12(6-9-16-17)13-14-7-3-8-15-13/h1-9H
InChI Key:
BWSNBLDOBUQGBZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1n1nccc1c1ncccn1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.248g/mol
Monoisotopic Mass:
267.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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