AA72041
144550-79-8 | 2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA72041
ChemicalName
2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester
CasNumber
144550-79-8
MolecularFormula
C8H8INO4S
MolecularWeight
341.1229
MdlNumber
MFCD11846230
Smiles
COC(=O)c1ccc(cc1S(=O)(=O)N)I
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AA72041
ChemicalName: 2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester
CasNumber: 144550-79-8
MolecularFormula: C8H8INO4S
MolecularWeight: 341.1229
MdlNumber: MFCD11846230
Smiles: COC(=O)c1ccc(cc1S(=O)(=O)N)I
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AA72041
ChemicalName:
2-(Aminosulfonyl)-4-iodobenzoic acid methyl ester
CasNumber:
144550-79-8
MolecularFormula:
C8H8INO4S
MolecularWeight:
341.1229
MdlNumber:
MFCD11846230
Smiles:
COC(=O)c1ccc(cc1S(=O)(=O)N)I
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(cc1N)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1N)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1cc(I)ccc1C(=O)OC.[Na]
Complexity: 651
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1cc(I)ccc1C(=O)OC.[Na]
Complexity:
651
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: IC[C@H]1COC(=O)N1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
IC[C@H]1COC(=O)N1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__