AA36498
1261994-99-3 | 1-(4-Bromo-3-trifluoromethylphenyl)pyrrolidin-2-one
Manufacturer: A2B Chem
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CatalogNumber
AA36498
ChemicalName
1-(4-Bromo-3-trifluoromethylphenyl)pyrrolidin-2-one
CasNumber
1261994-99-3
MolecularFormula
C11H9BrF3NO
MolecularWeight
308.0944695999999
MdlNumber
MFCD18311866
Smiles
O=C1CCCN1c1ccc(c(c1)C(F)(F)F)Br
Complexity
308
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AA36498
ChemicalName: 1-(4-Bromo-3-trifluoromethylphenyl)pyrrolidin-2-one
CasNumber: 1261994-99-3
MolecularFormula: C11H9BrF3NO
MolecularWeight: 308.0944695999999
MdlNumber: MFCD18311866
Smiles: O=C1CCCN1c1ccc(c(c1)C(F)(F)F)Br
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AA36498
ChemicalName:
1-(4-Bromo-3-trifluoromethylphenyl)pyrrolidin-2-one
CasNumber:
1261994-99-3
MolecularFormula:
C11H9BrF3NO
MolecularWeight:
308.0944695999999
MdlNumber:
MFCD18311866
Smiles:
O=C1CCCN1c1ccc(c(c1)C(F)(F)F)Br
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: AA36499
ChemicalName: 5-(2,5-Dimethoxyphenyl)picolinic acid
CasNumber: 1261994-86-8
MolecularFormula: C14H13NO4
MolecularWeight: 259.2573
MdlNumber: MFCD17148283
Smiles: COc1ccc(cc1c1ccc(nc1)C(=O)O)OC
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AA36499
ChemicalName:
5-(2,5-Dimethoxyphenyl)picolinic acid
CasNumber:
1261994-86-8
MolecularFormula:
C14H13NO4
MolecularWeight:
259.2573
MdlNumber:
MFCD17148283
Smiles:
COc1ccc(cc1c1ccc(nc1)C(=O)O)OC
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: AA36500
ChemicalName: 3-[3-(N-Ethylaminocarbonyl)phenyl]-5-methoxybenzoic acid
CasNumber: 1261994-07-3
MolecularFormula: C17H17NO4
MolecularWeight: 299.3212
MdlNumber: MFCD18322016
Smiles: CCNC(=O)c1cccc(c1)c1cc(OC)cc(c1)C(=O)O
Complexity: 398
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AA36500
ChemicalName:
3-[3-(N-Ethylaminocarbonyl)phenyl]-5-methoxybenzoic acid
CasNumber:
1261994-07-3
MolecularFormula:
C17H17NO4
MolecularWeight:
299.3212
MdlNumber:
MFCD18322016
Smiles:
CCNC(=O)c1cccc(c1)c1cc(OC)cc(c1)C(=O)O
Complexity:
398
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
2.7
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Smiles: Cc1cccc(c1)c1ccc(cc1F)C(=O)O
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Smiles:
Cc1cccc(c1)c1ccc(cc1F)C(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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