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7596-74-9 | 3-(1H-Benzo[d]imidazol-2-yl)aniline
CAS No: 7596-74-9 Catalog No: AG005SPI MDL No:MFCD00600407
Product Description
Catalog Number:
AG005SPI
Chemical Name:
3-(1H-Benzo[d]imidazol-2-yl)aniline
CAS Number:
7596-74-9
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
MDL Number:
MFCD00600407
IUPAC Name:
3-(1H-benzimidazol-2-yl)aniline
InChI:
InChI=1S/C13H11N3/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2,(H,15,16)
InChI Key:
JHTBOVFZNCAYFZ-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nc2c([nH]1)cccc2
NSC Number:
408147
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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