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Home > Nitro Compounds > 131941-33-8
131941-33-8 | Pyridine, 3-(1-methylethyl)-5-nitro-
CAS No: 131941-33-8 Catalog No: AG000ZY1 MDL No:MFCD18803311
Product Description
Catalog Number:
AG000ZY1
Chemical Name:
Pyridine, 3-(1-methylethyl)-5-nitro-
CAS Number:
131941-33-8
Molecular Formula:
C8H10N2O2
Molecular Weight:
166.1772
MDL Number:
MFCD18803311
IUPAC Name:
3-nitro-5-propan-2-ylpyridine
InChI:
InChI=1S/C8H10N2O2/c1-6(2)7-3-8(10(11)12)5-9-4-7/h3-6H,1-2H3
InChI Key:
YAVLACOHVXDOBS-UHFFFAOYSA-N
SMILES:
CC(c1cncc(c1)[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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