AG78840
61727-34-2 | Ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AG78840
ChemicalName
Ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
CasNumber
61727-34-2
MolecularFormula
C9H11ClN2O2S
MolecularWeight
246.7138
MdlNumber
MFCD11977460
Smiles
CCOC(=O)Cc1cnc(nc1Cl)SC
NscNumber
165400
Complexity
218
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
2.2
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CatalogNumber: AG78840
ChemicalName: Ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
CasNumber: 61727-34-2
MolecularFormula: C9H11ClN2O2S
MolecularWeight: 246.7138
MdlNumber: MFCD11977460
Smiles: CCOC(=O)Cc1cnc(nc1Cl)SC
NscNumber: 165400
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.2
CatalogNumber:
AG78840
ChemicalName:
Ethyl 2-(4-chloro-2-(methylthio)pyrimidin-5-yl)acetate
CasNumber:
61727-34-2
MolecularFormula:
C9H11ClN2O2S
MolecularWeight:
246.7138
MdlNumber:
MFCD11977460
Smiles:
CCOC(=O)Cc1cnc(nc1Cl)SC
NscNumber:
165400
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.2
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Smiles: BrCc1cccc(c1N(=O)=O)Cl
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Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
BrCc1cccc(c1N(=O)=O)Cl
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Smiles: Cc1cc(C)c(c(c1)[N+](=O)[O-])C
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Cc1cc(C)c(c(c1)[N+](=O)[O-])C
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Smiles: BrC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
BrC(c1ccc(cc1)Cl)c1ccc(cc1)Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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