AE62461
1423037-20-0 | 2-Methanesulfonyl-5-nitrobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AE62461
ChemicalName
2-Methanesulfonyl-5-nitrobenzaldehyde
CasNumber
1423037-20-0
MolecularFormula
C8H7NO5S
MolecularWeight
229.2099
MdlNumber
MFCD23135930
Smiles
O=Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity
352
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
0.5
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CatalogNumber: AE62461
ChemicalName: 2-Methanesulfonyl-5-nitrobenzaldehyde
CasNumber: 1423037-20-0
MolecularFormula: C8H7NO5S
MolecularWeight: 229.2099
MdlNumber: MFCD23135930
Smiles: O=Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity: 352
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.5
CatalogNumber:
AE62461
ChemicalName:
2-Methanesulfonyl-5-nitrobenzaldehyde
CasNumber:
1423037-20-0
MolecularFormula:
C8H7NO5S
MolecularWeight:
229.2099
MdlNumber:
MFCD23135930
Smiles:
O=Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity:
352
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.5
CatalogNumber: AE62462
ChemicalName: 5-(4-t-Butylphenyl)picolinic acid
CasNumber: 1226273-30-8
MolecularFormula: C16H17NO2
MolecularWeight: 255.3117
MdlNumber: MFCD16329814
Smiles: OC(=O)c1ccc(cn1)c1ccc(cc1)C(C)(C)C
Complexity: 313
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 4
CatalogNumber:
AE62462
ChemicalName:
5-(4-t-Butylphenyl)picolinic acid
CasNumber:
1226273-30-8
MolecularFormula:
C16H17NO2
MolecularWeight:
255.3117
MdlNumber:
MFCD16329814
Smiles:
OC(=O)c1ccc(cn1)c1ccc(cc1)C(C)(C)C
Complexity:
313
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
4
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
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
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
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
RotatableBondCount:
2
Xlogp3:
2.9