Home Nitros 1-(5-Methyl-3-nitropyridin-2-yl)ethanone

1-(5-Methyl-3-nitropyridin-2-yl)ethanone

CAS No.:
1416713-47-7
Catalog Number:
AG009EH0
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
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Product Description
Catalog Number:
AG009EH0
Chemical Name:
1-(5-Methyl-3-nitropyridin-2-yl)ethanone
CAS Number:
1416713-47-7
Molecular Formula:
C8H8N2O3
Molecular Weight:
180.1607
MDL Number:
MFCD22689776
IUPAC Name:
1-(5-methyl-3-nitropyridin-2-yl)ethanone
InChI:
InChI=1S/C8H8N2O3/c1-5-3-7(10(12)13)8(6(2)11)9-4-5/h3-4H,1-2H3
InChI Key:
QMLOSTIUYSOGEK-UHFFFAOYSA-N
SMILES:
Cc1cnc(c(c1)N(=O)=O)C(=O)C
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:
1.1  
Properties