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Home > Imidazoles > 120286-42-2
120286-42-2 | 1H-Imidazole, 1-[(4-methoxy-3-nitrophenyl)methyl]-
CAS No: 120286-42-2 Catalog No: AG00HFC9 MDL No:MFCD02856681
Product Description
Catalog Number:
AG00HFC9
Chemical Name:
1H-Imidazole, 1-[(4-methoxy-3-nitrophenyl)methyl]-
CAS Number:
120286-42-2
Molecular Formula:
C11H11N3O3
Molecular Weight:
233.2233
MDL Number:
MFCD02856681
IUPAC Name:
1-[(4-methoxy-3-nitrophenyl)methyl]imidazole
InChI:
InChI=1S/C11H11N3O3/c1-17-11-3-2-9(6-10(11)14(15)16)7-13-5-4-12-8-13/h2-6,8H,7H2,1H3
InChI Key:
UVPLMRZBQGZRDD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])Cn1cncc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.08g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.227g/mol
Monoisotopic Mass:
233.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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