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89218-53-1 | Acetic acid, bromo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
CAS No: 89218-53-1 Catalog No: AG0043ML MDL No:
Product Description
Catalog Number:
AG0043ML
Chemical Name:
Acetic acid, bromo-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
CAS Number:
89218-53-1
Molecular Formula:
C8H10BrN3O4
Molecular Weight:
292.0867
IUPAC Name:
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2-bromoacetate
InChI:
InChI=1S/C8H10BrN3O4/c1-6-10-5-7(12(14)15)11(6)2-3-16-8(13)4-9/h5H,2-4H2,1H3
InChI Key:
BNDSTXQAVFMHLY-UHFFFAOYSA-N
SMILES:
BrCC(=O)OCCn1c(C)ncc1[N+](=O)[O-]
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.089g/mol
Monoisotopic Mass:
290.985g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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