AB49720
171096-33-6 | Methyl 2-(4,6-dichloropyrimidin-5-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AB49720
ChemicalName
Methyl 2-(4,6-dichloropyrimidin-5-yl)acetate
CasNumber
171096-33-6
MolecularFormula
C7H6Cl2N2O2
MolecularWeight
221.0407
MdlNumber
MFCD20526414
Smiles
COC(=O)Cc1c(Cl)ncnc1Cl
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.9
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CatalogNumber: AB49720
ChemicalName: Methyl 2-(4,6-dichloropyrimidin-5-yl)acetate
CasNumber: 171096-33-6
MolecularFormula: C7H6Cl2N2O2
MolecularWeight: 221.0407
MdlNumber: MFCD20526414
Smiles: COC(=O)Cc1c(Cl)ncnc1Cl
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.9
CatalogNumber:
AB49720
ChemicalName:
Methyl 2-(4,6-dichloropyrimidin-5-yl)acetate
CasNumber:
171096-33-6
MolecularFormula:
C7H6Cl2N2O2
MolecularWeight:
221.0407
MdlNumber:
MFCD20526414
Smiles:
COC(=O)Cc1c(Cl)ncnc1Cl
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.9
CatalogNumber: AB49721
ChemicalName: N-Boc-trans-1,4-cyclohexanediamine
CasNumber: 177906-48-8
MolecularFormula: C11H22N2O2
MolecularWeight: 214.3046
MdlNumber: MFCD03001719
Smiles: N[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AB49721
ChemicalName:
N-Boc-trans-1,4-cyclohexanediamine
CasNumber:
177906-48-8
MolecularFormula:
C11H22N2O2
MolecularWeight:
214.3046
MdlNumber:
MFCD03001719
Smiles:
N[C@@H]1CC[C@H](CC1)NC(=O)OC(C)(C)C
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.3
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Smiles: COC(=O)[C@H](CCC(=O)N)N.Cl
Complexity: __
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HeavyAtomCount: __
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Smiles:
COC(=O)[C@H](CCC(=O)N)N.Cl
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Smiles: [O-]CCC.[O-]CCC.[O-]CCC.[O-]CCC.[Ti+4]
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MolecularWeight:
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MdlNumber:
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Smiles:
[O-]CCC.[O-]CCC.[O-]CCC.[O-]CCC.[Ti+4]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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