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Home > Imidazoles > 38980-93-7
38980-93-7 | 4-(1H-Imidazol-4-yl)aniline
CAS No: 38980-93-7 Catalog No: AG00772S MDL No:MFCD08688816
Product Description
Catalog Number:
AG00772S
Chemical Name:
4-(1H-Imidazol-4-yl)aniline
CAS Number:
38980-93-7
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD08688816
IUPAC Name:
5-(4-nitrophenyl)-1H-imidazole
InChI:
InChI=1S/C9H7N3O2/c13-12(14)8-3-1-7(2-4-8)9-5-10-6-11-9/h1-6H,(H,10,11)
InChI Key:
FNLBIRUBMLUNQC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nc[nH]c1
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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