AD06120
929000-10-2 | 2-(4-(Methylsulfonyl)-2-nitrophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AD06120
ChemicalName
2-(4-(Methylsulfonyl)-2-nitrophenyl)acetic acid
CasNumber
929000-10-2
MolecularFormula
C9H9NO6S
MolecularWeight
259.2359
MdlNumber
MFCD09258635
Smiles
OC(=O)Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C
Complexity
406
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AD06120
ChemicalName: 2-(4-(Methylsulfonyl)-2-nitrophenyl)acetic acid
CasNumber: 929000-10-2
MolecularFormula: C9H9NO6S
MolecularWeight: 259.2359
MdlNumber: MFCD09258635
Smiles: OC(=O)Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C
Complexity: 406
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AD06120
ChemicalName:
2-(4-(Methylsulfonyl)-2-nitrophenyl)acetic acid
CasNumber:
929000-10-2
MolecularFormula:
C9H9NO6S
MolecularWeight:
259.2359
MdlNumber:
MFCD09258635
Smiles:
OC(=O)Cc1ccc(cc1[N+](=O)[O-])S(=O)(=O)C
Complexity:
406
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: __
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Smiles: CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)O
Complexity: __
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Smiles:
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)O
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Smiles: CCOC(=O)CCCCNC(=O)Cc1ccc(cc1)Cl
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Smiles:
CCOC(=O)CCCCNC(=O)Cc1ccc(cc1)Cl
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RotatableBondCount:
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Smiles: CNC(=O)c1cccc2c1cccc2Br
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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:
CNC(=O)c1cccc2c1cccc2Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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