AI40861
1820707-54-7 | 3-Amino-6-(trifluoromethyl)-1-benzothiophene-1,1-dione
Manufacturer: A2B Chem
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CatalogNumber
AI40861
ChemicalName
3-Amino-6-(trifluoromethyl)-1-benzothiophene-1,1-dione
CasNumber
1820707-54-7
MolecularFormula
C9H6F3NO2S
MolecularWeight
249.2096
MdlNumber
MFCD28397285
Smiles
NC1=CS(=O)(=O)c2c1ccc(c2)C(F)(F)F
Complexity
421
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
Xlogp3
1.2
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CatalogNumber: AI40861
ChemicalName: 3-Amino-6-(trifluoromethyl)-1-benzothiophene-1,1-dione
CasNumber: 1820707-54-7
MolecularFormula: C9H6F3NO2S
MolecularWeight: 249.2096
MdlNumber: MFCD28397285
Smiles: NC1=CS(=O)(=O)c2c1ccc(c2)C(F)(F)F
Complexity: 421
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
Xlogp3: 1.2
CatalogNumber:
AI40861
ChemicalName:
3-Amino-6-(trifluoromethyl)-1-benzothiophene-1,1-dione
CasNumber:
1820707-54-7
MolecularFormula:
C9H6F3NO2S
MolecularWeight:
249.2096
MdlNumber:
MFCD28397285
Smiles:
NC1=CS(=O)(=O)c2c1ccc(c2)C(F)(F)F
Complexity:
421
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cnc(c(c1)OCCOCc1ccccc1)OCc1ccccc1
Complexity: 372
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 4.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cnc(c(c1)OCCOCc1ccccc1)OCc1ccccc1
Complexity:
372
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)c1ccc(cc1F)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)c1ccc(cc1F)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(cc2c1n(C)cn2)C(F)(F)F
Complexity: 246
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(cc2c1n(C)cn2)C(F)(F)F
Complexity:
246
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
3