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1385694-71-2 | Benzenamine, 4-(6-nitro-1H-benzimidazol-2-yl)-, hydrochloride (1:1)
CAS No: 1385694-71-2 Catalog No: AG0018RE MDL No:MFCD22423151
Product Description
Catalog Number:
AG0018RE
Chemical Name:
Benzenamine, 4-(6-nitro-1H-benzimidazol-2-yl)-, hydrochloride (1:1)
CAS Number:
1385694-71-2
Molecular Formula:
C13H11ClN4O2
Molecular Weight:
290.7050
MDL Number:
MFCD22423151
IUPAC Name:
4-(6-nitro-1H-benzimidazol-2-yl)aniline;hydrochloride
InChI:
InChI=1S/C13H10N4O2.ClH/c14-9-3-1-8(2-4-9)13-15-11-6-5-10(17(18)19)7-12(11)16-13;/h1-7H,14H2,(H,15,16);1H
InChI Key:
BUIKLZMKQGDIKJ-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)c1nc2c([nH]1)cc(cc2)[N+](=O)[O-].Cl
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.707g/mol
Monoisotopic Mass:
290.057g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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