AI40444
1820642-22-5 | Dimethyl 2-(6-chloropyrazin-2-yl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AI40444
ChemicalName
Dimethyl 2-(6-chloropyrazin-2-yl)malonate
CasNumber
1820642-22-5
MolecularFormula
C9H9ClN2O4
MolecularWeight
244.6318
MdlNumber
MFCD19689642
Smiles
COC(=O)C(c1cncc(n1)Cl)C(=O)OC
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
5
Xlogp3
0.7
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CatalogNumber: AI40444
ChemicalName: Dimethyl 2-(6-chloropyrazin-2-yl)malonate
CasNumber: 1820642-22-5
MolecularFormula: C9H9ClN2O4
MolecularWeight: 244.6318
MdlNumber: MFCD19689642
Smiles: COC(=O)C(c1cncc(n1)Cl)C(=O)OC
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 0.7
CatalogNumber:
AI40444
ChemicalName:
Dimethyl 2-(6-chloropyrazin-2-yl)malonate
CasNumber:
1820642-22-5
MolecularFormula:
C9H9ClN2O4
MolecularWeight:
244.6318
MdlNumber:
MFCD19689642
Smiles:
COC(=O)C(c1cncc(n1)Cl)C(=O)OC
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)c1ccc(cc1F)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COc1ccc(cc1)c1ccc(cc1F)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1ccnn1C1CCCCO1
Complexity: 165
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCc1ccnn1C1CCCCO1
Complexity:
165
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1CCc2c(C1)sc(n2)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1CCc2c(C1)sc(n2)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__