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72587-15-6 | 2-Chloro-3-nitro-5-(trifluoromethyl)pyridine
CAS No: 72587-15-6 Catalog No: AG00337L MDL No:MFCD06255171
Product Description
Catalog Number:
AG00337L
Chemical Name:
2-Chloro-3-nitro-5-(trifluoromethyl)pyridine
CAS Number:
72587-15-6
Molecular Formula:
C6H2ClF3N2O2
Molecular Weight:
226.5405
MDL Number:
MFCD06255171
IUPAC Name:
2-chloro-3-nitro-5-(trifluoromethyl)pyridine
InChI:
InChI=1S/C6H2ClF3N2O2/c7-5-4(12(13)14)1-3(2-11-5)6(8,9)10/h1-2H
InChI Key:
DRPIKFKCAJGTJF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Cl)C(F)(F)F
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.976g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.539g/mol
Monoisotopic Mass:
225.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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