AH94161
87600-72-4 | Ethyl 4,6-dichloropyrimidine-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AH94161
ChemicalName
Ethyl 4,6-dichloropyrimidine-5-carboxylate
CasNumber
87600-72-4
MolecularFormula
C7H6Cl2N2O2
MolecularWeight
221.0407
MdlNumber
MFCD10698803
Smiles
CCOC(=O)c1c(Cl)ncnc1Cl
Complexity
181
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AH94161
ChemicalName: Ethyl 4,6-dichloropyrimidine-5-carboxylate
CasNumber: 87600-72-4
MolecularFormula: C7H6Cl2N2O2
MolecularWeight: 221.0407
MdlNumber: MFCD10698803
Smiles: CCOC(=O)c1c(Cl)ncnc1Cl
Complexity: 181
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AH94161
ChemicalName:
Ethyl 4,6-dichloropyrimidine-5-carboxylate
CasNumber:
87600-72-4
MolecularFormula:
C7H6Cl2N2O2
MolecularWeight:
221.0407
MdlNumber:
MFCD10698803
Smiles:
CCOC(=O)c1c(Cl)ncnc1Cl
Complexity:
181
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CC(CC(C1)N)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CC(CC(C1)N)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCc2c(C1)cc(c(c2)[N+](=O)[O-])F)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCc2c(C1)cc(c(c2)[N+](=O)[O-])F)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH94164
ChemicalName: 3-Hydroxy-2-methylbenzaldehyde
CasNumber: 90111-15-2
MolecularFormula: C8H8O2
MolecularWeight: 136.1479
MdlNumber: MFCD09999328
Smiles: O=Cc1cccc(c1C)O
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AH94164
ChemicalName:
3-Hydroxy-2-methylbenzaldehyde
CasNumber:
90111-15-2
MolecularFormula:
C8H8O2
MolecularWeight:
136.1479
MdlNumber:
MFCD09999328
Smiles:
O=Cc1cccc(c1C)O
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.4