AE62207
1414029-17-6 | Methyl 3-(2-chloro-5-hydroxyphenyl)-2-formylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62207
ChemicalName
Methyl 3-(2-chloro-5-hydroxyphenyl)-2-formylbenzoate
CasNumber
1414029-17-6
MolecularFormula
C15H11ClO4
MolecularWeight
290.6984
MdlNumber
MFCD22574957
Smiles
COC(=O)c1cccc(c1C=O)c1cc(O)ccc1Cl
Complexity
360
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AE62207
ChemicalName: Methyl 3-(2-chloro-5-hydroxyphenyl)-2-formylbenzoate
CasNumber: 1414029-17-6
MolecularFormula: C15H11ClO4
MolecularWeight: 290.6984
MdlNumber: MFCD22574957
Smiles: COC(=O)c1cccc(c1C=O)c1cc(O)ccc1Cl
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AE62207
ChemicalName:
Methyl 3-(2-chloro-5-hydroxyphenyl)-2-formylbenzoate
CasNumber:
1414029-17-6
MolecularFormula:
C15H11ClO4
MolecularWeight:
290.6984
MdlNumber:
MFCD22574957
Smiles:
COC(=O)c1cccc(c1C=O)c1cc(O)ccc1Cl
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: AE62208
ChemicalName: Methyl 5-(2,5-dimethoxyphenyl)pyridine-2-carboxylate
CasNumber: 1414029-23-4
MolecularFormula: C15H15NO4
MolecularWeight: 273.2839
MdlNumber: MFCD22574971
Smiles: COc1ccc(c(c1)c1ccc(nc1)C(=O)OC)OC
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AE62208
ChemicalName:
Methyl 5-(2,5-dimethoxyphenyl)pyridine-2-carboxylate
CasNumber:
1414029-23-4
MolecularFormula:
C15H15NO4
MolecularWeight:
273.2839
MdlNumber:
MFCD22574971
Smiles:
COc1ccc(c(c1)c1ccc(nc1)C(=O)OC)OC
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
2.6
CatalogNumber: AE62209
ChemicalName: Methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CasNumber: 1346691-66-4
MolecularFormula: C13H9F2NO2
MolecularWeight: 249.2129
MdlNumber: MFCD19704379
Smiles: COC(=O)c1cncc(c1)c1ccc(cc1F)F
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AE62209
ChemicalName:
Methyl 5-(2,4-difluorophenyl)pyridine-3-carboxylate
CasNumber:
1346691-66-4
MolecularFormula:
C13H9F2NO2
MolecularWeight:
249.2129
MdlNumber:
MFCD19704379
Smiles:
COC(=O)c1cncc(c1)c1ccc(cc1F)F
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc2c(c1)nnn2CC
Complexity: 247
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc2c(c1)nnn2CC
Complexity:
247
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.4