AB47620
2494-89-5 | 2-((4-Aminophenyl)sulfonyl)ethyl hydrogen sulfate
Manufacturer: A2B Chem
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CatalogNumber
AB47620
ChemicalName
2-((4-Aminophenyl)sulfonyl)ethyl hydrogen sulfate
CasNumber
2494-89-5
MolecularFormula
C8H11NO6S2
MolecularWeight
281.306
MdlNumber
MFCD00100131
Smiles
Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
Complexity
424
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
-0.6
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CatalogNumber: AB47620
ChemicalName: 2-((4-Aminophenyl)sulfonyl)ethyl hydrogen sulfate
CasNumber: 2494-89-5
MolecularFormula: C8H11NO6S2
MolecularWeight: 281.306
MdlNumber: MFCD00100131
Smiles: Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
Complexity: 424
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: -0.6
CatalogNumber:
AB47620
ChemicalName:
2-((4-Aminophenyl)sulfonyl)ethyl hydrogen sulfate
CasNumber:
2494-89-5
MolecularFormula:
C8H11NO6S2
MolecularWeight:
281.306
MdlNumber:
MFCD00100131
Smiles:
Nc1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)O
Complexity:
424
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
-0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CC1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CC1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB47622
ChemicalName: 2-Fluoro-4-iodo-3-picoline
CasNumber: 153034-80-1
MolecularFormula: C6H5FIN
MolecularWeight: 237.0135
MdlNumber: MFCD03095289
Smiles: Ic1ccnc(c1C)F
Complexity: 99.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AB47622
ChemicalName:
2-Fluoro-4-iodo-3-picoline
CasNumber:
153034-80-1
MolecularFormula:
C6H5FIN
MolecularWeight:
237.0135
MdlNumber:
MFCD03095289
Smiles:
Ic1ccnc(c1C)F
Complexity:
99.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AB47623
ChemicalName: 2-Fluoro-4-iodonicotinic acid
CasNumber: 884494-51-3
MolecularFormula: C6H3FINO2
MolecularWeight: 266.9964
MdlNumber: MFCD03095310
Smiles: OC(=O)c1c(I)ccnc1F
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB47623
ChemicalName:
2-Fluoro-4-iodonicotinic acid
CasNumber:
884494-51-3
MolecularFormula:
C6H3FINO2
MolecularWeight:
266.9964
MdlNumber:
MFCD03095310
Smiles:
OC(=O)c1c(I)ccnc1F
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5