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89313-54-2 | 1H-Benzimidazol-2-amine, 5-(2,2-dichloro-1-phenylethenyl)-
CAS No: 89313-54-2 Catalog No: AG003YJ8 MDL No:
Product Description
Catalog Number:
AG003YJ8
Chemical Name:
1H-Benzimidazol-2-amine, 5-(2,2-dichloro-1-phenylethenyl)-
CAS Number:
89313-54-2
Molecular Formula:
C15H11Cl2N3
Molecular Weight:
304.1739
IUPAC Name:
6-(2,2-dichloro-1-phenylethenyl)-1H-benzimidazol-2-amine
InChI:
InChI=1S/C15H11Cl2N3/c16-14(17)13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)20-15(18)19-11/h1-8H,(H3,18,19,20)
InChI Key:
WDXGEZJBEPUKRX-UHFFFAOYSA-N
SMILES:
ClC(=C(c1ccc2c(c1)nc([nH]2)N)c1ccccc1)Cl
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.033g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.174g/mol
Monoisotopic Mass:
303.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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