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Home > Imidazoles > 6315-23-7
6315-23-7 | 3-(1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID ETHYL ESTER
CAS No: 6315-23-7 Catalog No: AG00ELTR MDL No:MFCD01191984
Product Description
Catalog Number:
AG00ELTR
Chemical Name:
3-(1H-BENZOIMIDAZOL-2-YL)-PROPIONIC ACID ETHYL ESTER
CAS Number:
6315-23-7
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD01191984
IUPAC Name:
ethyl 3-(1H-benzimidazol-2-yl)propanoate
InChI:
InChI=1S/C12H14N2O2/c1-2-16-12(15)8-7-11-13-9-5-3-4-6-10(9)14-11/h3-6H,2,7-8H2,1H3,(H,13,14)
InChI Key:
JPJXAIMBLLYVCO-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCc1nc2c([nH]1)cccc2
UNII:
791487L0WH
NSC Number:
20767
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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