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Home > Nitro Compounds > 1105194-06-6
1105194-06-6 | 5-(AZEPAN-1-YLCARBONYL)-3-NITROPYRIDIN-2(1H)-ONE
CAS No: 1105194-06-6 Catalog No: AG01ARTV MDL No:MFCD11986787
Product Description
Catalog Number:
AG01ARTV
Chemical Name:
5-(AZEPAN-1-YLCARBONYL)-3-NITROPYRIDIN-2(1H)-ONE
CAS Number:
1105194-06-6
MDL Number:
MFCD11986787
IUPAC Name:
5-(azepane-1-carbonyl)-3-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C12H15N3O4/c16-11-10(15(18)19)7-9(8-13-11)12(17)14-5-3-1-2-4-6-14/h7-8H,1-6H2,(H,13,16)
InChI Key:
VIZIEWYIHZQOJX-UHFFFAOYSA-N
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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