AB23915
23584-85-2 | 5-Phenyl-2-(trifluoromethyl)-3-furoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB23915
ChemicalName
5-Phenyl-2-(trifluoromethyl)-3-furoic acid
CasNumber
23584-85-2
MolecularFormula
C12H7F3O3
MolecularWeight
256.1774
MdlNumber
MFCD01313502
Smiles
OC(=O)c1cc(oc1C(F)(F)F)c1ccccc1
Complexity
310
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AB23915
ChemicalName: 5-Phenyl-2-(trifluoromethyl)-3-furoic acid
CasNumber: 23584-85-2
MolecularFormula: C12H7F3O3
MolecularWeight: 256.1774
MdlNumber: MFCD01313502
Smiles: OC(=O)c1cc(oc1C(F)(F)F)c1ccccc1
Complexity: 310
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AB23915
ChemicalName:
5-Phenyl-2-(trifluoromethyl)-3-furoic acid
CasNumber:
23584-85-2
MolecularFormula:
C12H7F3O3
MolecularWeight:
256.1774
MdlNumber:
MFCD01313502
Smiles:
OC(=O)c1cc(oc1C(F)(F)F)c1ccccc1
Complexity:
310
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]1[C@H]2OP(=O)(O)OC[C@@H]2O[C@H]1n1c(Br)nc2c1ncnc2N
Complexity: 532
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]1[C@H]2OP(=O)(O)OC[C@@H]2O[C@H]1n1c(Br)nc2c1ncnc2N
Complexity:
532
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.5
CatalogNumber: AB23921
ChemicalName: Ethyl 3-(benzylamino)propanoate
CasNumber: 23583-21-3
MolecularFormula: C12H17NO2
MolecularWeight: 207.2689
MdlNumber: MFCD00085541
Smiles: CCOC(=O)CCNCc1ccccc1
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 1.5
CatalogNumber:
AB23921
ChemicalName:
Ethyl 3-(benzylamino)propanoate
CasNumber:
23583-21-3
MolecularFormula:
C12H17NO2
MolecularWeight:
207.2689
MdlNumber:
MFCD00085541
Smiles:
CCOC(=O)CCNCc1ccccc1
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCC1C(=NN(C1=O)c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCC1C(=NN(C1=O)c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__