200,000+ products from a single source!
sales@angenechem.com
18874-52-7 | 1H-Imidazole, 5-bromo-2-methyl-4-nitro-
CAS No: 18874-52-7 Catalog No: AG002H8Y MDL No:MFCD00156130
Product Description
Catalog Number:
AG002H8Y
Chemical Name:
1H-Imidazole, 5-bromo-2-methyl-4-nitro-
CAS Number:
18874-52-7
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
MDL Number:
MFCD00156130
IUPAC Name:
4-bromo-2-methyl-5-nitro-1H-imidazole
InChI:
InChI=1S/C4H4BrN3O2/c1-2-6-3(5)4(7-2)8(9)10/h1H3,(H,6,7)
InChI Key:
YOJYWZSEUWUYAQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc([nH]c1Br)C
NSC Number:
226188
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.949g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.999g/mol
Monoisotopic Mass:
204.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Crystal packing of two 5-substituted 2-methyl-4-nitro-1H-imidazoles. | Acta crystallographica. Section C, Crystal structure communications 20070801 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.