AA36339
1261941-65-4 | 2-(3-Pyrrolidinocarbonylphenyl)benzoic acid
Manufacturer: A2B Chem
The price for this product is unavailable. Please request a quote
CatalogNumber
AA36339
ChemicalName
2-(3-Pyrrolidinocarbonylphenyl)benzoic acid
CasNumber
1261941-65-4
MolecularFormula
C18H17NO3
MolecularWeight
295.3325
MdlNumber
MFCD18312741
Smiles
O=C(c1cccc(c1)c1ccccc1C(=O)O)N1CCCC1
Complexity
417
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3
Compare Similar Items
Show Difference
CatalogNumber: AA36339
ChemicalName: 2-(3-Pyrrolidinocarbonylphenyl)benzoic acid
CasNumber: 1261941-65-4
MolecularFormula: C18H17NO3
MolecularWeight: 295.3325
MdlNumber: MFCD18312741
Smiles: O=C(c1cccc(c1)c1ccccc1C(=O)O)N1CCCC1
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AA36339
ChemicalName:
2-(3-Pyrrolidinocarbonylphenyl)benzoic acid
CasNumber:
1261941-65-4
MolecularFormula:
C18H17NO3
MolecularWeight:
295.3325
MdlNumber:
MFCD18312741
Smiles:
O=C(c1cccc(c1)c1ccccc1C(=O)O)N1CCCC1
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AA36340
ChemicalName: 4-(5-Carboxy-2-fluorophenyl)benzoic acid
CasNumber: 1261941-47-2
MolecularFormula: C14H9FO4
MolecularWeight: 260.2173
MdlNumber: MFCD18312667
Smiles: Fc1ccc(cc1c1ccc(cc1)C(=O)O)C(=O)O
Complexity: 349
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA36340
ChemicalName:
4-(5-Carboxy-2-fluorophenyl)benzoic acid
CasNumber:
1261941-47-2
MolecularFormula:
C14H9FO4
MolecularWeight:
260.2173
MdlNumber:
MFCD18312667
Smiles:
Fc1ccc(cc1c1ccc(cc1)C(=O)O)C(=O)O
Complexity:
349
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1cccc(c1)c1ccccc1C(=O)O
Complexity: 342
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1cccc(c1)c1ccccc1C(=O)O
Complexity:
342
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2
CatalogNumber: AA36342
ChemicalName: 2-(3-Fluoro-4-methylphenyl)benzoic acid
CasNumber: 1261940-97-9
MolecularFormula: C14H11FO2
MolecularWeight: 230.2343
MdlNumber: MFCD18312596
Smiles: OC(=O)c1ccccc1c1ccc(c(c1)F)C
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA36342
ChemicalName:
2-(3-Fluoro-4-methylphenyl)benzoic acid
CasNumber:
1261940-97-9
MolecularFormula:
C14H11FO2
MolecularWeight:
230.2343
MdlNumber:
MFCD18312596
Smiles:
OC(=O)c1ccccc1c1ccc(c(c1)F)C
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4