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10002-06-9 | 1H-Benzimidazole, 6-chloro-2-(4,5-dihydro-2-thiazolyl)-
CAS No: 10002-06-9 Catalog No: AG0000BH MDL No:
Product Description
Catalog Number:
AG0000BH
Chemical Name:
1H-Benzimidazole, 6-chloro-2-(4,5-dihydro-2-thiazolyl)-
CAS Number:
10002-06-9
Molecular Formula:
C10H8ClN3S
Molecular Weight:
237.7086
IUPAC Name:
2-(6-chloro-1H-benzimidazol-2-yl)-4,5-dihydro-1,3-thiazole
InChI:
InChI=1S/C10H8ClN3S/c11-6-1-2-7-8(5-6)14-9(13-7)10-12-3-4-15-10/h1-2,5H,3-4H2,(H,13,14)
InChI Key:
ZLRXBUXCYWKUIT-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]c(n2)C1=NCCS1
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.705g/mol
Monoisotopic Mass:
237.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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