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121816-79-3

121816-79-3 | 1H-Imidazole, 4-bromo-1-methyl-2-nitro-

CAS No: 121816-79-3 Catalog No: AG00162D MDL No:

Product Description

Catalog Number:
AG00162D
Chemical Name:
1H-Imidazole, 4-bromo-1-methyl-2-nitro-
CAS Number:
121816-79-3
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
IUPAC Name:
4-bromo-1-methyl-2-nitroimidazole
InChI:
InChI=1S/C4H4BrN3O2/c1-7-2-3(5)6-4(7)8(9)10/h2H,1H3
InChI Key:
JSBYDLKQWOUNMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nc(cn1C)Br

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:
0
Isotope Atom Count:
0
Molecular Weight:
205.999g/mol
Monoisotopic Mass:
204.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

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