Carbendazim
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CAS Number 10605-21-7
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Catalog Number io-1919
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Classification Amines
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Molecular Weight 191.1900
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SMILES COC(=O)NC1=NC2=CC=CC=C2N1
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Carbendazim is a member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. It has a role as an antinematodal drug, a metabolite, a microtubule-destabilising agent and an antifungal agrochemical. It is a carbamate ester, a member of benzimidazoles, a benzimidazole fungicide and a benzimidazolylcarbamate fungicide. It is functionally related to a 2-aminobenzimidazole.
1 | Carbendazim |
2 | Carbendazole |
3 | Mecarzole |
4 | Bavistin |
5 | Thicoper |
Molecular Formula | C9H9N3O2 |
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Canonical SMILES | COC(=O)NC1=NC2=CC=CC=C2N1 |
Isomeric SMILES | COC(=O)NC1=NC2=CC=CC=C2N1 |
Molecular Weight | 191.1900 |
InChIKey | TWFZGCMQGLPBSX-UHFFFAOYSA-N |
InChI | InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13) |
XLogP | 1.5000 |
ExactMass | 191.0695 |
MonoisotopicMass | 191.0695 |
TPSA | 67.0000 |
Complexity | 222.0000 |
Charge | 0.0000 |
HBondDonorCount | 2 |
HBondAcceptorCount | 3 |
RotatableBondCount | 2 |
HeavyAtomCount | 14 |
IsotopeAtomCount | 0 |
AtomStereoCount | 0 |
DefinedAtomStereoCount | 0 |
UndefinedAtomStereoCount | 0 |
BondStereoCount | 0 |
DefinedBondStereoCount | 0 |
UndefinedBondStereoCount | 0 |
CovalentUnitCount | 1 |
PatentCount | 42492 |
PatentFamilyCount | 15218 |
LiteratureCount | 5197 |