AA81361
1588441-22-8 | 2,2,2-Trifluoro-1-(pyridin-3-yl)ethanone hydrochloride
Manufacturer: A2B Chem
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CatalogNumber
AA81361
ChemicalName
2,2,2-Trifluoro-1-(pyridin-3-yl)ethanone hydrochloride
CasNumber
1588441-22-8
MolecularFormula
C7H5ClF3NO
MolecularWeight
211.5689
MdlNumber
MFCD28405557
Smiles
O=C(C(F)(F)F)c1cccnc1.Cl
Complexity
178
Covalently-bondedUnitCount
2
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AA81361
ChemicalName: 2,2,2-Trifluoro-1-(pyridin-3-yl)ethanone hydrochloride
CasNumber: 1588441-22-8
MolecularFormula: C7H5ClF3NO
MolecularWeight: 211.5689
MdlNumber: MFCD28405557
Smiles: O=C(C(F)(F)F)c1cccnc1.Cl
Complexity: 178
Covalently-bondedUnitCount: 2
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AA81361
ChemicalName:
2,2,2-Trifluoro-1-(pyridin-3-yl)ethanone hydrochloride
CasNumber:
1588441-22-8
MolecularFormula:
C7H5ClF3NO
MolecularWeight:
211.5689
MdlNumber:
MFCD28405557
Smiles:
O=C(C(F)(F)F)c1cccnc1.Cl
Complexity:
178
Covalently-bondedUnitCount:
2
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
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Smiles: NNc1cc(Cl)ncn1.O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
NNc1cc(Cl)ncn1.O
Complexity:
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Smiles: O=C(OC(C)(C)C)Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]
Complexity: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=C(OC(C)(C)C)Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1cc(ncc1[N+](=O)[O-])C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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HydrogenBondDonorCount: __
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CatalogNumber:
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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:
COc1cc(ncc1[N+](=O)[O-])C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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