AA94202
175278-35-0 | Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA94202
ChemicalName
Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate
CasNumber
175278-35-0
MolecularFormula
C13H10F3NO4
MolecularWeight
301.218
MdlNumber
MFCD00221480
Smiles
CCOC(=O)c1c[nH]c2c(c1=O)cccc2OC(F)(F)F
Complexity
461
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AA94202
ChemicalName: Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate
CasNumber: 175278-35-0
MolecularFormula: C13H10F3NO4
MolecularWeight: 301.218
MdlNumber: MFCD00221480
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)cccc2OC(F)(F)F
Complexity: 461
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AA94202
ChemicalName:
Ethyl 4-hydroxy-8-(trifluoromethoxy)quinoline-3-carboxylate
CasNumber:
175278-35-0
MolecularFormula:
C13H10F3NO4
MolecularWeight:
301.218
MdlNumber:
MFCD00221480
Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)cccc2OC(F)(F)F
Complexity:
461
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(Nc1ccccc1Br)Nc1ccccc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccccc1Br)Nc1ccccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA94204
ChemicalName: 1-Bromo-2-(difluoromethoxy)benzene
CasNumber: 175278-33-8
MolecularFormula: C7H5BrF2O
MolecularWeight: 223.0148
MdlNumber: MFCD00221468
Smiles: FC(Oc1ccccc1Br)F
Complexity: 121
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AA94204
ChemicalName:
1-Bromo-2-(difluoromethoxy)benzene
CasNumber:
175278-33-8
MolecularFormula:
C7H5BrF2O
MolecularWeight:
223.0148
MdlNumber:
MFCD00221468
Smiles:
FC(Oc1ccccc1Br)F
Complexity:
121
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1ccc(c(c1)CC)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1ccc(c(c1)CC)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__