AE62463
1414029-40-5 | Methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE62463
ChemicalName
Methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate
CasNumber
1414029-40-5
MolecularFormula
C14H12N2O3
MolecularWeight
256.2567
MdlNumber
MFCD22574972
Smiles
O=Cc1ccc(cc1)c1cnc(c(c1)C(=O)OC)N
Complexity
327
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2
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CatalogNumber: AE62463
ChemicalName: Methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate
CasNumber: 1414029-40-5
MolecularFormula: C14H12N2O3
MolecularWeight: 256.2567
MdlNumber: MFCD22574972
Smiles: O=Cc1ccc(cc1)c1cnc(c(c1)C(=O)OC)N
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AE62463
ChemicalName:
Methyl 2-amino-5-(4-formylphenyl)pyridine-3-carboxylate
CasNumber:
1414029-40-5
MolecularFormula:
C14H12N2O3
MolecularWeight:
256.2567
MdlNumber:
MFCD22574972
Smiles:
O=Cc1ccc(cc1)c1cnc(c(c1)C(=O)OC)N
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: AE62464
ChemicalName: 4-(4-Carboxy-3-fluorophenyl)-2-fluorophenol
CasNumber: 1261981-84-3
MolecularFormula: C13H8F2O3
MolecularWeight: 250.1976
MdlNumber: MFCD18313890
Smiles: OC(=O)c1ccc(cc1F)c1ccc(c(c1)F)O
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AE62464
ChemicalName:
4-(4-Carboxy-3-fluorophenyl)-2-fluorophenol
CasNumber:
1261981-84-3
MolecularFormula:
C13H8F2O3
MolecularWeight:
250.1976
MdlNumber:
MFCD18313890
Smiles:
OC(=O)c1ccc(cc1F)c1ccc(c(c1)F)O
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AE62465
ChemicalName: 4-(4-Carboxy-3-fluorophenyl)-2-methoxyphenol
CasNumber: 1261990-34-4
MolecularFormula: C14H11FO4
MolecularWeight: 262.2331
MdlNumber: MFCD18315233
Smiles: COc1cc(ccc1O)c1ccc(c(c1)F)C(=O)O
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AE62465
ChemicalName:
4-(4-Carboxy-3-fluorophenyl)-2-methoxyphenol
CasNumber:
1261990-34-4
MolecularFormula:
C14H11FO4
MolecularWeight:
262.2331
MdlNumber:
MFCD18315233
Smiles:
COc1cc(ccc1O)c1ccc(c(c1)F)C(=O)O
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: AE62466
ChemicalName: Methyl 5-bromo-2-(dibromomethyl)benzoate
CasNumber: 1265286-99-4
MolecularFormula: C9H7Br3O2
MolecularWeight: 386.86267999999995
MdlNumber: MFCD25121753
Smiles: COC(=O)c1cc(Br)ccc1C(Br)Br
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.9
CatalogNumber:
AE62466
ChemicalName:
Methyl 5-bromo-2-(dibromomethyl)benzoate
CasNumber:
1265286-99-4
MolecularFormula:
C9H7Br3O2
MolecularWeight:
386.86267999999995
MdlNumber:
MFCD25121753
Smiles:
COC(=O)c1cc(Br)ccc1C(Br)Br
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.9