AD33571
1206-37-7 | 4-[(Dimethylamino)sulfonyl]benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD33571
ChemicalName
4-[(Dimethylamino)sulfonyl]benzoic acid
CasNumber
1206-37-7
MolecularFormula
C9H11NO4S
MolecularWeight
229.2529
MdlNumber
MFCD00721975
Smiles
CN(S(=O)(=O)c1ccc(cc1)C(=O)O)C
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AD33571
ChemicalName: 4-[(Dimethylamino)sulfonyl]benzoic acid
CasNumber: 1206-37-7
MolecularFormula: C9H11NO4S
MolecularWeight: 229.2529
MdlNumber: MFCD00721975
Smiles: CN(S(=O)(=O)c1ccc(cc1)C(=O)O)C
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AD33571
ChemicalName:
4-[(Dimethylamino)sulfonyl]benzoic acid
CasNumber:
1206-37-7
MolecularFormula:
C9H11NO4S
MolecularWeight:
229.2529
MdlNumber:
MFCD00721975
Smiles:
CN(S(=O)(=O)c1ccc(cc1)C(=O)O)C
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)Cc1ncnc2c1CCNC2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)Cc1ncnc2c1CCNC2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cnc2c(c1)nc(n2C)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cnc2c(c1)nc(n2C)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AD33575
ChemicalName: 2-((Methylamino)oxy)ethanamine dihydrochloride
CasNumber: 1187830-44-9
MolecularFormula: C3H12Cl2N2O
MolecularWeight: 163.0462
MdlNumber: MFCD11846207
Smiles: CNOCCN.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AD33575
ChemicalName:
2-((Methylamino)oxy)ethanamine dihydrochloride
CasNumber:
1187830-44-9
MolecularFormula:
C3H12Cl2N2O
MolecularWeight:
163.0462
MdlNumber:
MFCD11846207
Smiles:
CNOCCN.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__