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16098-21-8 | 3-Bromo-1-methyl-5-nitropyridin-2(1H)-one
CAS No: 16098-21-8 Catalog No: AG01EN4H MDL No:
Product Description
Catalog Number:
AG01EN4H
Chemical Name:
3-Bromo-1-methyl-5-nitropyridin-2(1H)-one
CAS Number:
16098-21-8
IUPAC Name:
3-bromo-1-methyl-5-nitropyridin-2-one
InChI:
InChI=1S/C6H5BrN2O3/c1-8-3-4(9(11)12)2-5(7)6(8)10/h2-3H,1H3
InChI Key:
TVMGAVXSPUAAJH-UHFFFAOYSA-N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.948g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.021g/mol
Monoisotopic Mass:
231.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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