AB28425
259750-61-3 | 1-(4-Bromo-2-fluorophenyl)propan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AB28425
ChemicalName
1-(4-Bromo-2-fluorophenyl)propan-1-one
CasNumber
259750-61-3
MolecularFormula
C9H8BrFO
MolecularWeight
231.0616
MdlNumber
MFCD11226830
Smiles
CCC(=O)c1ccc(cc1F)Br
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AB28425
ChemicalName: 1-(4-Bromo-2-fluorophenyl)propan-1-one
CasNumber: 259750-61-3
MolecularFormula: C9H8BrFO
MolecularWeight: 231.0616
MdlNumber: MFCD11226830
Smiles: CCC(=O)c1ccc(cc1F)Br
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB28425
ChemicalName:
1-(4-Bromo-2-fluorophenyl)propan-1-one
CasNumber:
259750-61-3
MolecularFormula:
C9H8BrFO
MolecularWeight:
231.0616
MdlNumber:
MFCD11226830
Smiles:
CCC(=O)c1ccc(cc1F)Br
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
2.9
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Smiles: Cc1nn(c2c1cc(F)c(c2)F)CC(N)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1nn(c2c1cc(F)c(c2)F)CC(N)C
Complexity:
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Smiles: C1COc2c(OC1)c[nH]c2
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Smiles:
C1COc2c(OC1)c[nH]c2
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: N[C@@H](C1(CCC1)c1ccc(cc1)Cl)CC(C)C.O[C@@H]([C@@H](C(=O)O)O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@@H](C1(CCC1)c1ccc(cc1)Cl)CC(C)C.O[C@@H]([C@@H](C(=O)O)O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__