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1446718-18-8 | 1H-Benzimidazole-5-carboxylic acid, 6-chloro-2,3-dihydro-1-methyl-2-thioxo-, methyl ester
CAS No: 1446718-18-8 Catalog No: AG001JYO MDL No:
Product Description
Catalog Number:
AG001JYO
Chemical Name:
1H-Benzimidazole-5-carboxylic acid, 6-chloro-2,3-dihydro-1-methyl-2-thioxo-, methyl ester
CAS Number:
1446718-18-8
Molecular Formula:
C10H9ClN2O2S
Molecular Weight:
256.7087
IUPAC Name:
methyl 6-chloro-1-methyl-2-sulfanylidene-3H-benzimidazole-5-carboxylate
InChI:
InChI=1S/C10H9ClN2O2S/c1-13-8-4-6(11)5(9(14)15-2)3-7(8)12-10(13)16/h3-4H,1-2H3,(H,12,16)
InChI Key:
QUGHNOKDYHLEHX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2[nH]c(=S)n(c2cc1Cl)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.704g/mol
Monoisotopic Mass:
256.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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