AA58842
138786-67-1 | 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1-sodio-1H-1,3-benzodiazole
Manufacturer: A2B Chem
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CatalogNumber
AA58842
ChemicalName
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1-sodio-1H-1,3-benzodiazole
CasNumber
138786-67-1
MolecularFormula
C16H15F2N3NaO4S
MolecularWeight
406.3596
MdlNumber
MFCD08704580
Smiles
COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity
497
Covalently-bondedUnitCount
2
HeavyAtomCount
27
HydrogenBondAcceptorCount
10
RotatableBondCount
7
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA58842
ChemicalName: 5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1-sodio-1H-1,3-benzodiazole
CasNumber: 138786-67-1
MolecularFormula: C16H15F2N3NaO4S
MolecularWeight: 406.3596
MdlNumber: MFCD08704580
Smiles: COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity: 497
Covalently-bondedUnitCount: 2
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 10
RotatableBondCount: 7
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA58842
ChemicalName:
5-(difluoromethoxy)-2-{[(3,4-dimethoxypyridin-2-yl)methane]sulfinyl}-1-sodio-1H-1,3-benzodiazole
CasNumber:
138786-67-1
MolecularFormula:
C16H15F2N3NaO4S
MolecularWeight:
406.3596
MdlNumber:
MFCD08704580
Smiles:
COc1c(OC)ccnc1CS(=O)c1nc2c([nH]1)cc(cc2)OC(F)F.[Na]
Complexity:
497
Covalently-bondedUnitCount:
2
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
10
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
1
CatalogNumber: AA58843
ChemicalName: Methyl 2-(bromomethyl)-5-fluorobenzoate
CasNumber: 138786-65-9
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD04114323
Smiles: COC(=O)c1cc(F)ccc1CBr
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
CatalogNumber:
AA58843
ChemicalName:
Methyl 2-(bromomethyl)-5-fluorobenzoate
CasNumber:
138786-65-9
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD04114323
Smiles:
COC(=O)c1cc(F)ccc1CBr
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc(cc1)C#Cc1cccc(c1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc(cc1)C#Cc1cccc(c1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C/C=C/COP(=O)(F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C/C=C/COP(=O)(F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__