AI04906
100418-51-7 | 2-(4-Nitrophenylamino)ethyl methanesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AI04906
ChemicalName
2-(4-Nitrophenylamino)ethyl methanesulfonate
CasNumber
100418-51-7
MolecularFormula
C9H12N2O5S
MolecularWeight
260.267
MdlNumber
MFCD25954045
Smiles
[O-][N+](=O)c1ccc(cc1)NCCOS(=O)(=O)C
NscNumber
100773
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AI04906
ChemicalName: 2-(4-Nitrophenylamino)ethyl methanesulfonate
CasNumber: 100418-51-7
MolecularFormula: C9H12N2O5S
MolecularWeight: 260.267
MdlNumber: MFCD25954045
Smiles: [O-][N+](=O)c1ccc(cc1)NCCOS(=O)(=O)C
NscNumber: 100773
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AI04906
ChemicalName:
2-(4-Nitrophenylamino)ethyl methanesulfonate
CasNumber:
100418-51-7
MolecularFormula:
C9H12N2O5S
MolecularWeight:
260.267
MdlNumber:
MFCD25954045
Smiles:
[O-][N+](=O)c1ccc(cc1)NCCOS(=O)(=O)C
NscNumber:
100773
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: __
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MolecularWeight: __
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Smiles: COC(=O)C1(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 440
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)C1(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber:
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Complexity:
440
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RotatableBondCount:
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Smiles: COc1ccc(cc1F)CNC(=O)c1cc(ccc1OCC(C)C)c1ncccc1CO
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Smiles:
COc1ccc(cc1F)CNC(=O)c1cc(ccc1OCC(C)C)c1ncccc1CO
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Smiles: Clc1ccc2c(c1)nc(n2Cc1ccccc1)S
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HeavyAtomCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Clc1ccc2c(c1)nc(n2Cc1ccccc1)S
NscNumber:
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Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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