AD06119
929000-14-6 | Methyl 5-bromo-2-(methylthio)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD06119
ChemicalName
Methyl 5-bromo-2-(methylthio)benzoate
CasNumber
929000-14-6
MolecularFormula
C9H9BrO2S
MolecularWeight
261.13556
MdlNumber
MFCD09258758
Smiles
COC(=O)c1cc(Br)ccc1SC
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AD06119
ChemicalName: Methyl 5-bromo-2-(methylthio)benzoate
CasNumber: 929000-14-6
MolecularFormula: C9H9BrO2S
MolecularWeight: 261.13556
MdlNumber: MFCD09258758
Smiles: COC(=O)c1cc(Br)ccc1SC
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AD06119
ChemicalName:
Methyl 5-bromo-2-(methylthio)benzoate
CasNumber:
929000-14-6
MolecularFormula:
C9H9BrO2S
MolecularWeight:
261.13556
MdlNumber:
MFCD09258758
Smiles:
COC(=O)c1cc(Br)ccc1SC
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.2
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
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
RotatableBondCount:
3
Xlogp3:
0.5
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Smiles: CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)O
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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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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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