AA87783
161796-78-7 | sodium 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazol-1-ide
Manufacturer: A2B Chem
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CatalogNumber
AA87783
ChemicalName
sodium 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazol-1-ide
CasNumber
161796-78-7
MolecularFormula
C17H18N3NaO3S
MolecularWeight
367.39788999999996
MdlNumber
MFCD07802816
Smiles
COc1ccc2c(c1)[n-]c(n2)[S@@](=O)Cc1ncc(c(c1C)OC)C.[Na+]
Complexity
459
Covalently-bondedUnitCount
2
DefinedAtomStereocenterCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
7
RotatableBondCount
5
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CatalogNumber: AA87783
ChemicalName: sodium 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazol-1-ide
CasNumber: 161796-78-7
MolecularFormula: C17H18N3NaO3S
MolecularWeight: 367.39788999999996
MdlNumber: MFCD07802816
Smiles: COc1ccc2c(c1)[n-]c(n2)[S@@](=O)Cc1ncc(c(c1C)OC)C.[Na+]
Complexity: 459
Covalently-bondedUnitCount: 2
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
CatalogNumber:
AA87783
ChemicalName:
sodium 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methane]sulfinyl}-1H-1,3-benzodiazol-1-ide
CasNumber:
161796-78-7
MolecularFormula:
C17H18N3NaO3S
MolecularWeight:
367.39788999999996
MdlNumber:
MFCD07802816
Smiles:
COc1ccc2c(c1)[n-]c(n2)[S@@](=O)Cc1ncc(c(c1C)OC)C.[Na+]
Complexity:
459
Covalently-bondedUnitCount:
2
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)[nH]c(n2)[S@](=O)Cc1ncc(c(c1C)OC)C.[Na]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)[nH]c(n2)[S@](=O)Cc1ncc(c(c1C)OC)C.[Na]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AA87785
ChemicalName: 3-Bromo-5-(methoxycarbonyl)benzoic acid
CasNumber: 161796-10-7
MolecularFormula: C9H7BrO4
MolecularWeight: 259.0535
MdlNumber: MFCD06797598
Smiles: COC(=O)c1cc(Br)cc(c1)C(=O)O
Complexity: 241
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
CatalogNumber:
AA87785
ChemicalName:
3-Bromo-5-(methoxycarbonyl)benzoic acid
CasNumber:
161796-10-7
MolecularFormula:
C9H7BrO4
MolecularWeight:
259.0535
MdlNumber:
MFCD06797598
Smiles:
COC(=O)c1cc(Br)cc(c1)C(=O)O
Complexity:
241
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
CatalogNumber: AA87786
ChemicalName: 2,3,4-Trifluorobenzaldehyde
CasNumber: 161793-17-5
MolecularFormula: C7H3F3O
MolecularWeight: 160.0933
MdlNumber: MFCD00061230
Smiles: O=Cc1ccc(c(c1F)F)F
Complexity: 151
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AA87786
ChemicalName:
2,3,4-Trifluorobenzaldehyde
CasNumber:
161793-17-5
MolecularFormula:
C7H3F3O
MolecularWeight:
160.0933
MdlNumber:
MFCD00061230
Smiles:
O=Cc1ccc(c(c1F)F)F
Complexity:
151
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1