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1388059-62-8 | 1H-Benzimidazole-5-carboxylic acid, 6-chloro-2,3-dihydro-2-thioxo-, methyl ester
CAS No: 1388059-62-8 Catalog No: AG0019M8 MDL No:
Product Description
Catalog Number:
AG0019M8
Chemical Name:
1H-Benzimidazole-5-carboxylic acid, 6-chloro-2,3-dihydro-2-thioxo-, methyl ester
CAS Number:
1388059-62-8
Molecular Formula:
C9H7ClN2O2S
Molecular Weight:
242.6821
IUPAC Name:
methyl 6-chloro-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxylate
InChI:
InChI=1S/C9H7ClN2O2S/c1-14-8(13)4-2-6-7(3-5(4)10)12-9(15)11-6/h2-3H,1H3,(H2,11,12,15)
InChI Key:
QZDSKHJBTZHXRJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]c(=S)[nH]c2cc1Cl
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.677g/mol
Monoisotopic Mass:
241.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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