AI49981
408367-99-7 | 2-(3-Trifluoromethylphenyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI49981
ChemicalName
2-(3-Trifluoromethylphenyl)benzoic acid
CasNumber
408367-99-7
MolecularFormula
C14H9F3O2
MolecularWeight
266.2153
MdlNumber
MFCD04039234
Smiles
OC(=O)c1ccccc1c1cccc(c1)C(F)(F)F
Complexity
327
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.8
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CatalogNumber: AI49981
ChemicalName: 2-(3-Trifluoromethylphenyl)benzoic acid
CasNumber: 408367-99-7
MolecularFormula: C14H9F3O2
MolecularWeight: 266.2153
MdlNumber: MFCD04039234
Smiles: OC(=O)c1ccccc1c1cccc(c1)C(F)(F)F
Complexity: 327
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AI49981
ChemicalName:
2-(3-Trifluoromethylphenyl)benzoic acid
CasNumber:
408367-99-7
MolecularFormula:
C14H9F3O2
MolecularWeight:
266.2153
MdlNumber:
MFCD04039234
Smiles:
OC(=O)c1ccccc1c1cccc(c1)C(F)(F)F
Complexity:
327
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: c1ccc(cn1)c1cn2c(n1)CCC2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
c1ccc(cn1)c1cn2c(n1)CCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI49984
ChemicalName: 1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane
CasNumber: 4085-31-8
MolecularFormula: C29H32Cl2N6
MolecularWeight: 535.5106
MdlNumber: MFCD01237079
Smiles: Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI49984
ChemicalName:
1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane
CasNumber:
4085-31-8
MolecularFormula:
C29H32Cl2N6
MolecularWeight:
535.5106
MdlNumber:
MFCD01237079
Smiles:
Clc1ccc2c(c1)nccc2N1CCN(CC1)CCCN1CCN(CC1)c1ccnc2c1ccc(c2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CNc1c(OC)cccc1C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CNc1c(OC)cccc1C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__