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294852-28-1 | Pyridine, 2-chloro-5-(1,1-dimethylethyl)-3-nitro-
CAS No: 294852-28-1 Catalog No: AG002YJ0 MDL No:MFCD18261519
Product Description
Catalog Number:
AG002YJ0
Chemical Name:
Pyridine, 2-chloro-5-(1,1-dimethylethyl)-3-nitro-
CAS Number:
294852-28-1
Molecular Formula:
C9H11ClN2O2
Molecular Weight:
214.6488
MDL Number:
MFCD18261519
IUPAC Name:
5-tert-butyl-2-chloro-3-nitropyridine
InChI:
InChI=1S/C9H11ClN2O2/c1-9(2,3)6-4-7(12(13)14)8(10)11-5-6/h4-5H,1-3H3
InChI Key:
FYDWBUGKMKWHDN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1Cl)C(C)(C)C
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.649g/mol
Monoisotopic Mass:
214.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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