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1261269-04-8 | Benzenamine, 3-(1H-imidazol-2-yl)-, hydrochloride (1:1)
CAS No: 1261269-04-8 Catalog No: AG000RPZ MDL No:MFCD03206691
Product Description
Catalog Number:
AG000RPZ
Chemical Name:
Benzenamine, 3-(1H-imidazol-2-yl)-, hydrochloride (1:1)
CAS Number:
1261269-04-8
Molecular Formula:
C9H10ClN3
Molecular Weight:
195.6488
MDL Number:
MFCD03206691
IUPAC Name:
3-(1H-imidazol-2-yl)aniline;hydrochloride
InChI:
InChI=1S/C9H9N3.ClH/c10-8-3-1-2-7(6-8)9-11-4-5-12-9;/h1-6H,10H2,(H,11,12);1H
InChI Key:
MYQNJGGSUDCMPX-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1ncc[nH]1.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.65g/mol
Monoisotopic Mass:
195.056g/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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