AI40730
1820686-69-8 | Diethyl 2-[(4-bromo-3-methylphenyl)aminomethylidene]malonate
Manufacturer: A2B Chem
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CatalogNumber
AI40730
ChemicalName
Diethyl 2-[(4-bromo-3-methylphenyl)aminomethylidene]malonate
CasNumber
1820686-69-8
MolecularFormula
C15H18BrNO4
MolecularWeight
356.2117
MdlNumber
MFCD28101643
Smiles
CCOC(=O)C(=CNc1ccc(c(c1)C)Br)C(=O)OCC
Complexity
377
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
8
Xlogp3
4.3
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CatalogNumber: AI40730
ChemicalName: Diethyl 2-[(4-bromo-3-methylphenyl)aminomethylidene]malonate
CasNumber: 1820686-69-8
MolecularFormula: C15H18BrNO4
MolecularWeight: 356.2117
MdlNumber: MFCD28101643
Smiles: CCOC(=O)C(=CNc1ccc(c(c1)C)Br)C(=O)OCC
Complexity: 377
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 8
Xlogp3: 4.3
CatalogNumber:
AI40730
ChemicalName:
Diethyl 2-[(4-bromo-3-methylphenyl)aminomethylidene]malonate
CasNumber:
1820686-69-8
MolecularFormula:
C15H18BrNO4
MolecularWeight:
356.2117
MdlNumber:
MFCD28101643
Smiles:
CCOC(=O)C(=CNc1ccc(c(c1)C)Br)C(=O)OCC
Complexity:
377
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
8
Xlogp3:
4.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(n1)ccc(c2)Cl
Complexity: 176
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(n1)ccc(c2)Cl
Complexity:
176
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cccc(c1)c1cc(F)ccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)c1cccc(c1)c1cc(F)ccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: C1CN(CCN1)C2=CC(=C(C=C2)Br)Cl.Cl
Complexity: 185
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CN(CCN1)C2=CC(=C(C=C2)Br)Cl.Cl
Complexity:
185
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__