AB46047
33142-21-1 | Ethyl 2-chloro-3-oxopropanoate
Manufacturer: A2B Chem
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CatalogNumber
AB46047
ChemicalName
Ethyl 2-chloro-3-oxopropanoate
CasNumber
33142-21-1
MolecularFormula
C5H7ClO3
MolecularWeight
150.5603
MdlNumber
MFCD07369378
Smiles
CCOC(=O)C(C=O)Cl
Complexity
113
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
0.8
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CatalogNumber: AB46047
ChemicalName: Ethyl 2-chloro-3-oxopropanoate
CasNumber: 33142-21-1
MolecularFormula: C5H7ClO3
MolecularWeight: 150.5603
MdlNumber: MFCD07369378
Smiles: CCOC(=O)C(C=O)Cl
Complexity: 113
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.8
CatalogNumber:
AB46047
ChemicalName:
Ethyl 2-chloro-3-oxopropanoate
CasNumber:
33142-21-1
MolecularFormula:
C5H7ClO3
MolecularWeight:
150.5603
MdlNumber:
MFCD07369378
Smiles:
CCOC(=O)C(C=O)Cl
Complexity:
113
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.8
CatalogNumber: AB46048
ChemicalName: Ethyl 2-chloro-4,4,4-trifluoroacetoacetate
CasNumber: 363-58-6
MolecularFormula: C6H6ClF3O3
MolecularWeight: 218.5582
MdlNumber: MFCD00041540
Smiles: CCOC(=O)C(C(=O)C(F)(F)F)Cl
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.2
CatalogNumber:
AB46048
ChemicalName:
Ethyl 2-chloro-4,4,4-trifluoroacetoacetate
CasNumber:
363-58-6
MolecularFormula:
C6H6ClF3O3
MolecularWeight:
218.5582
MdlNumber:
MFCD00041540
Smiles:
CCOC(=O)C(C(=O)C(F)(F)F)Cl
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.2
CatalogNumber: AB46049
ChemicalName: Ethyl 2-chloro-6-methylpyridine-4-carboxylate
CasNumber: 3998-88-7
MolecularFormula: C9H10ClNO2
MolecularWeight: 199.6342
MdlNumber: MFCD09842151
Smiles: CCOC(=O)c1cc(C)nc(c1)Cl
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 2.4
CatalogNumber:
AB46049
ChemicalName:
Ethyl 2-chloro-6-methylpyridine-4-carboxylate
CasNumber:
3998-88-7
MolecularFormula:
C9H10ClNO2
MolecularWeight:
199.6342
MdlNumber:
MFCD09842151
Smiles:
CCOC(=O)c1cc(C)nc(c1)Cl
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(C(=O)C)Cl
Complexity: 144
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(C(=O)C)Cl
Complexity:
144
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.1