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1141669-51-3 | Benzoic acid, 2-amino-5-fluoro-4-(1H-imidazol-1-yl)-, methyl ester
CAS No: 1141669-51-3 Catalog No: AG000AOR MDL No:MFCD11656804
Product Description
Catalog Number:
AG000AOR
Chemical Name:
Benzoic acid, 2-amino-5-fluoro-4-(1H-imidazol-1-yl)-, methyl ester
CAS Number:
1141669-51-3
Molecular Formula:
C11H10FN3O2
Molecular Weight:
235.2144
MDL Number:
MFCD11656804
IUPAC Name:
methyl 2-amino-5-fluoro-4-imidazol-1-ylbenzoate
InChI:
InChI=1S/C11H10FN3O2/c1-17-11(16)7-4-8(12)10(5-9(7)13)15-3-2-14-6-15/h2-6H,13H2,1H3
InChI Key:
LPLOBTJUUSVLJS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(cc1N)n1ccnc1
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.218g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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