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89676-59-5 | 1H-Imidazole-4-carboxylicacid, 2,5-difluoro-, ethyl ester
CAS No: 89676-59-5 Catalog No: AG0042YB MDL No:
Product Description
Catalog Number:
AG0042YB
Chemical Name:
1H-Imidazole-4-carboxylicacid, 2,5-difluoro-, ethyl ester
CAS Number:
89676-59-5
Molecular Formula:
C6H6F2N2O2
Molecular Weight:
176.1208
IUPAC Name:
ethyl 2,5-difluoro-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C6H6F2N2O2/c1-2-12-5(11)3-4(7)10-6(8)9-3/h2H2,1H3,(H,9,10)
InChI Key:
IQAZHMZPSUKCMX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(F)nc([nH]1)F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.123g/mol
Monoisotopic Mass:
176.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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