AB72719
103976-11-0 | Diethyl 2-((3-chloro-4-methylphenylamino)methylene)malonate
Manufacturer: A2B Chem
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CatalogNumber
AB72719
ChemicalName
Diethyl 2-((3-chloro-4-methylphenylamino)methylene)malonate
CasNumber
103976-11-0
MolecularFormula
C15H18ClNO4
MolecularWeight
311.7607
MdlNumber
MFCD00487335
Smiles
CCOC(=O)C(=CNc1ccc(c(c1)Cl)C)C(=O)OCC
Complexity
377
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
4.2
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CatalogNumber: AB72719
ChemicalName: Diethyl 2-((3-chloro-4-methylphenylamino)methylene)malonate
CasNumber: 103976-11-0
MolecularFormula: C15H18ClNO4
MolecularWeight: 311.7607
MdlNumber: MFCD00487335
Smiles: CCOC(=O)C(=CNc1ccc(c(c1)Cl)C)C(=O)OCC
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 4.2
CatalogNumber:
AB72719
ChemicalName:
Diethyl 2-((3-chloro-4-methylphenylamino)methylene)malonate
CasNumber:
103976-11-0
MolecularFormula:
C15H18ClNO4
MolecularWeight:
311.7607
MdlNumber:
MFCD00487335
Smiles:
CCOC(=O)C(=CNc1ccc(c(c1)Cl)C)C(=O)OCC
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C(c1c(F)cccc1F)C(=O)OCC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C(c1c(F)cccc1F)C(=O)OCC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB72721
ChemicalName: Diethyl 2-(2-cyanoethyl)malonate
CasNumber: 17216-62-5
MolecularFormula: C10H15NO4
MolecularWeight: 213.2304
MdlNumber: MFCD00001966
Smiles: CCOC(=O)C(C(=O)OCC)CCC#N
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 8
Xlogp3: 1
CatalogNumber:
AB72721
ChemicalName:
Diethyl 2-(2-cyanoethyl)malonate
CasNumber:
17216-62-5
MolecularFormula:
C10H15NO4
MolecularWeight:
213.2304
MdlNumber:
MFCD00001966
Smiles:
CCOC(=O)C(C(=O)OCC)CCC#N
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
8
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)/C(=c1/s/c(=C(C(=O)OCC)/C#N)/s1)/C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)/C(=c1/s/c(=C(C(=O)OCC)/C#N)/s1)/C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__