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Home > Nitro Compounds > 68541-87-7
68541-87-7 | Ethanone, 1-(2-methyl-5-nitro-3-pyridinyl)-
CAS No: 68541-87-7 Catalog No: AG00IBUL MDL No:
Product Description
Catalog Number:
AG00IBUL
Chemical Name:
Ethanone, 1-(2-methyl-5-nitro-3-pyridinyl)-
CAS Number:
68541-87-7
IUPAC Name:
1-(2-methyl-5-nitropyridin-3-yl)ethanone
InChI:
InChI=1S/C8H8N2O3/c1-5-8(6(2)11)3-7(4-9-5)10(12)13/h3-4H,1-2H3
InChI Key:
ZAJZRNADQUVNOV-UHFFFAOYSA-N
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.053g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.163g/mol
Monoisotopic Mass:
180.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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