AE24957
1057672-39-5 | 4-(4-Bromo-2-fluorophenyl)butanenitrile
Manufacturer: A2B Chem
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CatalogNumber
AE24957
ChemicalName
4-(4-Bromo-2-fluorophenyl)butanenitrile
CasNumber
1057672-39-5
MolecularFormula
C10H9BrFN
MolecularWeight
242.0876
MdlNumber
MFCD09744540
Smiles
N#CCCCc1ccc(cc1F)Br
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AE24957
ChemicalName: 4-(4-Bromo-2-fluorophenyl)butanenitrile
CasNumber: 1057672-39-5
MolecularFormula: C10H9BrFN
MolecularWeight: 242.0876
MdlNumber: MFCD09744540
Smiles: N#CCCCc1ccc(cc1F)Br
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AE24957
ChemicalName:
4-(4-Bromo-2-fluorophenyl)butanenitrile
CasNumber:
1057672-39-5
MolecularFormula:
C10H9BrFN
MolecularWeight:
242.0876
MdlNumber:
MFCD09744540
Smiles:
N#CCCCc1ccc(cc1F)Br
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AE24958
ChemicalName: 5-(3,5-Dimethylphenyl)nicotinic acid
CasNumber: 1048486-24-3
MolecularFormula: C14H13NO2
MolecularWeight: 227.2585
MdlNumber: MFCD16200850
Smiles: Cc1cc(C)cc(c1)c1cncc(c1)C(=O)O
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AE24958
ChemicalName:
5-(3,5-Dimethylphenyl)nicotinic acid
CasNumber:
1048486-24-3
MolecularFormula:
C14H13NO2
MolecularWeight:
227.2585
MdlNumber:
MFCD16200850
Smiles:
Cc1cc(C)cc(c1)c1cncc(c1)C(=O)O
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: OCc1ccc(cc1OC(C)C)Br
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Smiles:
OCc1ccc(cc1OC(C)C)Br
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RotatableBondCount:
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Smiles: Fc1cc(cc(c1)C(=O)O)c1ccccc1
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Smiles:
Fc1cc(cc(c1)C(=O)O)c1ccccc1
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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