AA36398
1261956-34-6 | 5-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA36398
ChemicalName
5-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
CasNumber
1261956-34-6
MolecularFormula
C14H8F2O4
MolecularWeight
278.2077
MdlNumber
MFCD18321502
Smiles
OC(=O)c1ccc(cc1F)c1ccc(c(c1)C(=O)O)F
Complexity
387
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AA36398
ChemicalName: 5-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
CasNumber: 1261956-34-6
MolecularFormula: C14H8F2O4
MolecularWeight: 278.2077
MdlNumber: MFCD18321502
Smiles: OC(=O)c1ccc(cc1F)c1ccc(c(c1)C(=O)O)F
Complexity: 387
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AA36398
ChemicalName:
5-(4-Carboxy-3-fluorophenyl)-2-fluorobenzoic acid
CasNumber:
1261956-34-6
MolecularFormula:
C14H8F2O4
MolecularWeight:
278.2077
MdlNumber:
MFCD18321502
Smiles:
OC(=O)c1ccc(cc1F)c1ccc(c(c1)C(=O)O)F
Complexity:
387
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)C1(CC1)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)C1(CC1)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA36400
ChemicalName: Methyl 3-bromo-5-propoxybenzoate
CasNumber: 1261956-31-3
MolecularFormula: C11H13BrO3
MolecularWeight: 273.1231
MdlNumber: MFCD18311870
Smiles: CCCOc1cc(Br)cc(c1)C(=O)OC
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AA36400
ChemicalName:
Methyl 3-bromo-5-propoxybenzoate
CasNumber:
1261956-31-3
MolecularFormula:
C11H13BrO3
MolecularWeight:
273.1231
MdlNumber:
MFCD18311870
Smiles:
CCCOc1cc(Br)cc(c1)C(=O)OC
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
3.3
CatalogNumber: AA36401
ChemicalName: Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate
CasNumber: 1261956-26-6
MolecularFormula: C10H9ClN2O6
MolecularWeight: 288.6413
MdlNumber: MFCD18311907
Smiles: COC(=O)C(c1ncc(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.3
CatalogNumber:
AA36401
ChemicalName:
Dimethyl 2-(5-chloro-3-nitropyridin-2-yl)malonate
CasNumber:
1261956-26-6
MolecularFormula:
C10H9ClN2O6
MolecularWeight:
288.6413
MdlNumber:
MFCD18311907
Smiles:
COC(=O)C(c1ncc(cc1[N+](=O)[O-])Cl)C(=O)OC
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.3