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Home > Imidazoles > 125903-39-1
125903-39-1 | Benzoic acid, 4-(1H-imidazol-2-yl)-, methyl ester
CAS No: 125903-39-1 Catalog No: AG000OXT MDL No:MFCD01316442
Product Description
Catalog Number:
AG000OXT
Chemical Name:
Benzoic acid, 4-(1H-imidazol-2-yl)-, methyl ester
CAS Number:
125903-39-1
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD01316442
IUPAC Name:
methyl 4-(1H-imidazol-2-yl)benzoate
InChI:
InChI=1S/C11H10N2O2/c1-15-11(14)9-4-2-8(3-5-9)10-12-6-7-13-10/h2-7H,1H3,(H,12,13)
InChI Key:
MWBQCVZOWZVSEX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1[nH]ccn1
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:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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