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10173-75-8 | 1H-Benzimidazole, 2-(5-chloro-2-nitrophenyl)-
CAS No: 10173-75-8 Catalog No: AG0005CN MDL No:
Product Description
Catalog Number:
AG0005CN
Chemical Name:
1H-Benzimidazole, 2-(5-chloro-2-nitrophenyl)-
CAS Number:
10173-75-8
Molecular Formula:
C13H8ClN3O2
Molecular Weight:
273.6745
IUPAC Name:
2-(5-chloro-2-nitrophenyl)-1H-benzimidazole
InChI:
InChI=1S/C13H8ClN3O2/c14-8-5-6-12(17(18)19)9(7-8)13-15-10-3-1-2-4-11(10)16-13/h1-7H,(H,15,16)
InChI Key:
RXTKSFISKHTFHI-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)c1nc2c([nH]1)cccc2)[N+](=O)[O-]
NSC Number:
128748
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.031g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.676g/mol
Monoisotopic Mass:
273.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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