200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 137888-34-7
137888-34-7 | 2H-Azepin-2-one, hexahydro-1-methyl-3-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-
CAS No: 137888-34-7 Catalog No: AG001415 MDL No:
Product Description
Catalog Number:
AG001415
Chemical Name:
2H-Azepin-2-one, hexahydro-1-methyl-3-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]-
CAS Number:
137888-34-7
Molecular Formula:
C12H16N4O3
Molecular Weight:
264.2804
IUPAC Name:
1-methyl-3-[(1-methyl-5-nitroimidazol-2-yl)methylidene]azepan-2-one
InChI:
InChI=1S/C12H16N4O3/c1-14-6-4-3-5-9(12(14)17)7-10-13-8-11(15(10)2)16(18)19/h7-8H,3-6H2,1-2H3
InChI Key:
PGRCTGVOXJFEKY-UHFFFAOYSA-N
SMILES:
O=C1N(C)CCCCC1=Cc1ncc(n1C)[N+](=O)[O-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.122g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.285g/mol
Monoisotopic Mass:
264.122g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.