AA57063
1381944-58-6 | 3-(3-Carboxyphenyl)-2-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA57063
ChemicalName
3-(3-Carboxyphenyl)-2-fluorobenzoic acid
CasNumber
1381944-58-6
MolecularFormula
C14H9FO4
MolecularWeight
260.2173
MdlNumber
MFCD22375068
Smiles
OC(=O)c1cccc(c1)c1cccc(c1F)C(=O)O
Complexity
357
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AA57063
ChemicalName: 3-(3-Carboxyphenyl)-2-fluorobenzoic acid
CasNumber: 1381944-58-6
MolecularFormula: C14H9FO4
MolecularWeight: 260.2173
MdlNumber: MFCD22375068
Smiles: OC(=O)c1cccc(c1)c1cccc(c1F)C(=O)O
Complexity: 357
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AA57063
ChemicalName:
3-(3-Carboxyphenyl)-2-fluorobenzoic acid
CasNumber:
1381944-58-6
MolecularFormula:
C14H9FO4
MolecularWeight:
260.2173
MdlNumber:
MFCD22375068
Smiles:
OC(=O)c1cccc(c1)c1cccc(c1F)C(=O)O
Complexity:
357
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCC(c1cccc(c1)F)(C)C.Cl
Complexity: 145
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCC(c1cccc(c1)F)(C)C.Cl
Complexity:
145
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA57065
ChemicalName: Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate
CasNumber: 1381944-56-4
MolecularFormula: C17H14F2O4
MolecularWeight: 320.2875
MdlNumber: MFCD22375054
Smiles: CCOC(=O)c1ccc(cc1F)c1cccc(c1F)C(=O)OC
Complexity: 429
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 3.8
CatalogNumber:
AA57065
ChemicalName:
Methyl 3-[4-(ethoxycarbonyl)-3-fluorophenyl]-2-fluorobenzoate
CasNumber:
1381944-56-4
MolecularFormula:
C17H14F2O4
MolecularWeight:
320.2875
MdlNumber:
MFCD22375054
Smiles:
CCOC(=O)c1ccc(cc1F)c1cccc(c1F)C(=O)OC
Complexity:
429
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
3.8
CatalogNumber: AA57066
ChemicalName: 5-Bromo-2-ethoxy-3-methylaniline
CasNumber: 1381944-55-3
MolecularFormula: C9H12BrNO
MolecularWeight: 230.1017
MdlNumber: MFCD22375005
Smiles: CCOc1c(C)cc(cc1N)Br
Complexity: 143
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AA57066
ChemicalName:
5-Bromo-2-ethoxy-3-methylaniline
CasNumber:
1381944-55-3
MolecularFormula:
C9H12BrNO
MolecularWeight:
230.1017
MdlNumber:
MFCD22375005
Smiles:
CCOc1c(C)cc(cc1N)Br
Complexity:
143
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.6