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Home > Imidazoles > 101184-08-1
101184-08-1 | Benzoic acid, 4-(1H-imidazol-1-yl)-, methyl ester
CAS No: 101184-08-1 Catalog No: AG0003WE MDL No:MFCD00127080
Product Description
Catalog Number:
AG0003WE
Chemical Name:
Benzoic acid, 4-(1H-imidazol-1-yl)-, methyl ester
CAS Number:
101184-08-1
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD00127080
IUPAC Name:
methyl 4-imidazol-1-ylbenzoate
InChI:
InChI=1S/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3
InChI Key:
KUBBZTZQWIGHFH-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)n1ccnc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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