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Home > Nitro Compounds > 131941-21-4
131941-21-4 | pyridine, 2-(1-methylethyl)-5-nitro-
CAS No: 131941-21-4 Catalog No: AG000ZY3 MDL No:MFCD11113382
Product Description
Catalog Number:
AG000ZY3
Chemical Name:
pyridine, 2-(1-methylethyl)-5-nitro-
CAS Number:
131941-21-4
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD11113382
IUPAC Name:
5-nitro-2-propan-2-ylpyridine
InChI:
InChI=1S/C8H10N2O2/c1-6(2)8-4-3-7(5-9-8)10(11)12/h3-6H,1-2H3
InChI Key:
NHGFJXPCQGXISU-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cn1)[N+](=O)[O-])C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.074g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.18g/mol
Monoisotopic Mass:
166.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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