AI59025
881189-58-8 | 3-(5-bromo-2-fluorophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI59025
ChemicalName
3-(5-bromo-2-fluorophenyl)propanoic acid
CasNumber
881189-58-8
MolecularFormula
C9H8BrFO2
MolecularWeight
247.061
MdlNumber
MFCD11036289
Smiles
OC(=O)CCc1cc(Br)ccc1F
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AI59025
ChemicalName: 3-(5-bromo-2-fluorophenyl)propanoic acid
CasNumber: 881189-58-8
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD11036289
Smiles: OC(=O)CCc1cc(Br)ccc1F
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AI59025
ChemicalName:
3-(5-bromo-2-fluorophenyl)propanoic acid
CasNumber:
881189-58-8
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD11036289
Smiles:
OC(=O)CCc1cc(Br)ccc1F
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AI59026
ChemicalName: 5-Chloro-6-fluoro-2,3-dihydro-1h-inden-1-one
CasNumber: 881190-94-9
MolecularFormula: C9H6ClFO
MolecularWeight: 184.5947432
MdlNumber: MFCD13190260
Smiles: O=C1CCc2c1cc(F)c(c2)Cl
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.4
CatalogNumber:
AI59026
ChemicalName:
5-Chloro-6-fluoro-2,3-dihydro-1h-inden-1-one
CasNumber:
881190-94-9
MolecularFormula:
C9H6ClFO
MolecularWeight:
184.5947432
MdlNumber:
MFCD13190260
Smiles:
O=C1CCc2c1cc(F)c(c2)Cl
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1ccc(cc1)c1cc(Cl)nc(n1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1ccc(cc1)c1cc(Cl)nc(n1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1c(Cl)nc2c(c1Cl)cc(cc2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1c(Cl)nc2c(c1Cl)cc(cc2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__