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Home > Imidazoles > 938022-10-7
938022-10-7 | methyl 5-[(2-methyl-4-nitro-1H-imidazol-1-yl)methyl]-2-furoate
CAS No: 938022-10-7 Catalog No: AG00JFES MDL No:MFCD08558154
Product Description
Catalog Number:
AG00JFES
Chemical Name:
methyl 5-[(2-methyl-4-nitro-1H-imidazol-1-yl)methyl]-2-furoate
CAS Number:
938022-10-7
Molecular Formula:
C11H11N3O5
Molecular Weight:
265.2221
MDL Number:
MFCD08558154
IUPAC Name:
methyl 5-[(2-methyl-4-nitroimidazol-1-yl)methyl]furan-2-carboxylate
InChI:
InChI=1S/C11H11N3O5/c1-7-12-10(14(16)17)6-13(7)5-8-3-4-9(19-8)11(15)18-2/h3-4,6H,5H2,1-2H3
InChI Key:
UIWHWWVVTKRXTN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(o1)Cn1cc(nc1C)[N+](=O)[O-]
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.07g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.225g/mol
Monoisotopic Mass:
265.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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