AI61457
917397-92-3 | 1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethanol
Manufacturer: A2B Chem
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CatalogNumber
AI61457
ChemicalName
1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethanol
CasNumber
917397-92-3
MolecularFormula
C7H5BrF3NO
MolecularWeight
256.0199
MdlNumber
MFCD18909491
Smiles
Brc1ccc(nc1)C(C(F)(F)F)O
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AI61457
ChemicalName: 1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethanol
CasNumber: 917397-92-3
MolecularFormula: C7H5BrF3NO
MolecularWeight: 256.0199
MdlNumber: MFCD18909491
Smiles: Brc1ccc(nc1)C(C(F)(F)F)O
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AI61457
ChemicalName:
1-(5-Bromopyridin-2-yl)-2,2,2-trifluoroethanol
CasNumber:
917397-92-3
MolecularFormula:
C7H5BrF3NO
MolecularWeight:
256.0199
MdlNumber:
MFCD18909491
Smiles:
Brc1ccc(nc1)C(C(F)(F)F)O
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
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Smiles: N#CC1(CC1)c1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C
Complexity: __
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Smiles:
N#CC1(CC1)c1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C
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Smiles: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.[Cs+]
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Smiles:
FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.[Cs+]
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HeavyAtomCount:
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Smiles: CN[C@@H]1CCN(C1)C(=O)OCc1ccccc1
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UndefinedAtomStereocenterCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CN[C@@H]1CCN(C1)C(=O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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