AI57989
866862-24-0 | 3-(3-Bromo-4-fluorophenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI57989
ChemicalName
3-(3-Bromo-4-fluorophenyl)propanoic acid
CasNumber
866862-24-0
MolecularFormula
C9H8BrFO2
MolecularWeight
247.061
MdlNumber
MFCD12190913
Smiles
OC(=O)CCc1ccc(c(c1)Br)F
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AI57989
ChemicalName: 3-(3-Bromo-4-fluorophenyl)propanoic acid
CasNumber: 866862-24-0
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD12190913
Smiles: OC(=O)CCc1ccc(c(c1)Br)F
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AI57989
ChemicalName:
3-(3-Bromo-4-fluorophenyl)propanoic acid
CasNumber:
866862-24-0
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD12190913
Smiles:
OC(=O)CCc1ccc(c(c1)Br)F
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC[C@@H](NC(=O)OCc1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CNC[C@@H](NC(=O)OCc1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: CCc1ccc(c(c1)C)I
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCc1ccc(c(c1)C)I
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: N1CCC2(CC1)CCCN(C2)Cc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N1CCC2(CC1)CCCN(C2)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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