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115878-09-6 | 1H-Benzimidazole, 6-chloro-2-[(2,4-dinitrophenyl)thio]-
CAS No: 115878-09-6 Catalog No: AG000H1U MDL No:
Product Description
Catalog Number:
AG000H1U
Chemical Name:
1H-Benzimidazole, 6-chloro-2-[(2,4-dinitrophenyl)thio]-
CAS Number:
115878-09-6
Molecular Formula:
C13H7ClN4O4S
Molecular Weight:
350.7371
IUPAC Name:
6-chloro-2-(2,4-dinitrophenyl)sulfanyl-1H-benzimidazole
InChI:
InChI=1S/C13H7ClN4O4S/c14-7-1-3-9-10(5-7)16-13(15-9)23-12-4-2-8(17(19)20)6-11(12)18(21)22/h1-6H,(H,15,16)
InChI Key:
CRVMNFMFKOSQER-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]c(n2)Sc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.988g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.733g/mol
Monoisotopic Mass:
349.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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