AA57069
1381944-52-0 | Methyl 3-(4-cyano-3-fluorophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA57069
ChemicalName
Methyl 3-(4-cyano-3-fluorophenyl)benzoate
CasNumber
1381944-52-0
MolecularFormula
C15H10FNO2
MolecularWeight
255.2438
MdlNumber
MFCD22375062
Smiles
COC(=O)c1cccc(c1)c1ccc(c(c1)F)C#N
Complexity
376
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
3.2
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CatalogNumber: AA57069
ChemicalName: Methyl 3-(4-cyano-3-fluorophenyl)benzoate
CasNumber: 1381944-52-0
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD22375062
Smiles: COC(=O)c1cccc(c1)c1ccc(c(c1)F)C#N
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AA57069
ChemicalName:
Methyl 3-(4-cyano-3-fluorophenyl)benzoate
CasNumber:
1381944-52-0
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD22375062
Smiles:
COC(=O)c1cccc(c1)c1ccc(c(c1)F)C#N
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AA57070
ChemicalName: Methyl 2-fluoro-3-[3-(pyrrolidinocarbonyl)phenyl]benzoate
CasNumber: 1381944-51-9
MolecularFormula: C19H18FNO3
MolecularWeight: 327.3495
MdlNumber: MFCD22375052
Smiles: COC(=O)c1cccc(c1F)c1cccc(c1)C(=O)N1CCCC1
Complexity: 464
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AA57070
ChemicalName:
Methyl 2-fluoro-3-[3-(pyrrolidinocarbonyl)phenyl]benzoate
CasNumber:
1381944-51-9
MolecularFormula:
C19H18FNO3
MolecularWeight:
327.3495
MdlNumber:
MFCD22375052
Smiles:
COC(=O)c1cccc(c1F)c1cccc(c1)C(=O)N1CCCC1
Complexity:
464
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: AA57071
ChemicalName: 1-Cyclohexyl-5-fluoro-2-methyl-1,3-benzodiazole
CasNumber: 1381944-50-8
MolecularFormula: C14H17FN2
MolecularWeight: 232.2966
MdlNumber: MFCD22375044
Smiles: Fc1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AA57071
ChemicalName:
1-Cyclohexyl-5-fluoro-2-methyl-1,3-benzodiazole
CasNumber:
1381944-50-8
MolecularFormula:
C14H17FN2
MolecularWeight:
232.2966
MdlNumber:
MFCD22375044
Smiles:
Fc1ccc2c(c1)nc(n2C1CCCCC1)C
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
3.7
CatalogNumber: AA57072
ChemicalName: Methyl 6-(4-Cbz-aminophenyl)pyridine-2-carboxylate
CasNumber: 1381944-48-4
MolecularFormula: C21H18N2O4
MolecularWeight: 362.3786
MdlNumber: MFCD22375077
Smiles: COC(=O)c1cccc(n1)c1ccc(cc1)NC(=O)OCc1ccccc1
Complexity: 485
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
RotatableBondCount: 7
Xlogp3: 3.8
CatalogNumber:
AA57072
ChemicalName:
Methyl 6-(4-Cbz-aminophenyl)pyridine-2-carboxylate
CasNumber:
1381944-48-4
MolecularFormula:
C21H18N2O4
MolecularWeight:
362.3786
MdlNumber:
MFCD22375077
Smiles:
COC(=O)c1cccc(n1)c1ccc(cc1)NC(=O)OCc1ccccc1
Complexity:
485
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
RotatableBondCount:
7
Xlogp3:
3.8