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Home > Imidazoles > 1258650-47-3
1258650-47-3 | 3-(1H-imidazol-2-yl)aniline dihydrochloride
CAS No: 1258650-47-3 Catalog No: AG01A86X MDL No:MFCD17167110
Product Description
Catalog Number:
AG01A86X
Chemical Name:
3-(1H-imidazol-2-yl)aniline dihydrochloride
CAS Number:
1258650-47-3
Molecular Formula:
C9H11Cl2N3
Molecular Weight:
232.1097
MDL Number:
MFCD17167110
IUPAC Name:
3-(1H-imidazol-2-yl)aniline;dihydrochloride
InChI:
InChI=1S/C9H9N3.2ClH/c10-8-3-1-2-7(6-8)9-11-4-5-12-9;;/h1-6H,10H2,(H,11,12);2*1H
InChI Key:
XENSRULSKQVWTD-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ncc[nH]1.Cl.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
232.108g/mol
Monoisotopic Mass:
231.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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