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161887-05-4 | Benzenamine, 3-(1H-imidazol-2-yl)-
CAS No: 161887-05-4 Catalog No: AG001VYX MDL No:MFCD00632053
Product Description
Catalog Number:
AG001VYX
Chemical Name:
Benzenamine, 3-(1H-imidazol-2-yl)-
CAS Number:
161887-05-4
Molecular Formula:
C9H9N3
Molecular Weight:
159.1879
MDL Number:
MFCD00632053
IUPAC Name:
3-(1H-imidazol-2-yl)aniline
InChI:
InChI=1S/C9H9N3/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H,10H2,(H,11,12)
InChI Key:
ICYYPKINHSREND-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ncc[nH]1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.192g/mol
Monoisotopic Mass:
159.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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