1H-Benzimidazole-1-...

1H-Benzimidazole-1-carboxamide,N-(3,4-dichlorophenyl)-(CAS No. 56023-14-4)

1H-Benzimidazole-1-carboxamide,N-(3,4-dichlorophenyl)-(CAS No. 56023-14-4)

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1H-Benzimidazole-1-carboxamide,N-(3,4-dichlorophenyl)- 56023-14-4 98%

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Details:

【Name】
1H-Benzimidazole-1-carboxamide,N-(3,4-dichlorophenyl)-
【Iupac name】
N-(3,4-dichlorophenyl)benzimidazole-1-carboxamide
【CAS Registry number】
56023-14-4
【Synonyms】
NSC 270097
【Molecular Formula】
C14H9 Cl2 N3 O (Products with the same molecular formula)
【Molecular Weight】
306.1468
【Inchi】
InChI=1/C14H9Cl2N3O/c15-10-6-5-9(7-11(10)16)18-14(20)19-8-17-12-3-1-2-4-13(12)19/h1-8H,(H,18,20)
【Canonical SMILES】
C1=CC=C2C(=C1)N=CN2C(=O)NC3=CC(=C(C=C3)Cl)Cl
Chemical and Physical Properties
【Density】
1.46g/cm3
【Refractive Index】
1.687
【Computed Properties】
Molecular Weight:306.14676 [g/mol]
Molecular Formula:C14H9Cl2N3O
XLogP3-AA:4
H-Bond Donor:1
H-Bond Acceptor:1
Rotatable Bond Count:1
Tautomer Count:2
Exact Mass:305.012267
MonoIsotopic Mass:305.012267
Topological Polar Surface Area:46.9
Heavy Atom Count:20
Formal Charge:0
Complexity:368
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Ring Count:3
Effective Rotor Count:3
Conformer Sampling RMSD:0.6
CID Conformer Count:42

 

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