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116418-99-6 | Pyridine, 2-(chloromethyl)-3-methyl-4-nitro-
CAS No: 116418-99-6 Catalog No: AG000CFI MDL No:
Product Description
Catalog Number:
AG000CFI
Chemical Name:
Pyridine, 2-(chloromethyl)-3-methyl-4-nitro-
CAS Number:
116418-99-6
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
IUPAC Name:
2-(chloromethyl)-3-methyl-4-nitropyridine
InChI:
InChI=1S/C7H7ClN2O2/c1-5-6(4-8)9-3-2-7(5)10(11)12/h2-3H,4H2,1H3
InChI Key:
JGITUYGRSZWVLB-UHFFFAOYSA-N
SMILES:
ClCc1nccc(c1C)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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