200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 114153-78-5
114153-78-5 | 1,2-Propanediol, 3-(5-iodo-2-methyl-4-nitro-1H-imidazol-1-yl)-
CAS No: 114153-78-5 Catalog No: AG000APF MDL No:
Product Description
Catalog Number:
AG000APF
Chemical Name:
1,2-Propanediol, 3-(5-iodo-2-methyl-4-nitro-1H-imidazol-1-yl)-
CAS Number:
114153-78-5
Molecular Formula:
C7H10IN3O4
Molecular Weight:
327.0765
IUPAC Name:
3-(5-iodo-2-methyl-4-nitroimidazol-1-yl)propane-1,2-diol
InChI:
InChI=1S/C7H10IN3O4/c1-4-9-7(11(14)15)6(8)10(4)2-5(13)3-12/h5,12-13H,2-3H2,1H3
InChI Key:
AGVFXJBZNLDORQ-UHFFFAOYSA-N
SMILES:
OCC(Cn1c(C)nc(c1I)[N+](=O)[O-])O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.972g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.078g/mol
Monoisotopic Mass:
326.972g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.