AI60956
910654-27-2 | 3-(5-(Trifluoromethyl)pyridin-2-yl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI60956
ChemicalName
3-(5-(Trifluoromethyl)pyridin-2-yl)propanoic acid
CasNumber
910654-27-2
MolecularFormula
C9H8F3NO2
MolecularWeight
219.16052960000005
MdlNumber
MFCD18259975
Smiles
OC(=O)CCc1ccc(cn1)C(F)(F)F
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AI60956
ChemicalName: 3-(5-(Trifluoromethyl)pyridin-2-yl)propanoic acid
CasNumber: 910654-27-2
MolecularFormula: C9H8F3NO2
MolecularWeight: 219.16052960000005
MdlNumber: MFCD18259975
Smiles: OC(=O)CCc1ccc(cn1)C(F)(F)F
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AI60956
ChemicalName:
3-(5-(Trifluoromethyl)pyridin-2-yl)propanoic acid
CasNumber:
910654-27-2
MolecularFormula:
C9H8F3NO2
MolecularWeight:
219.16052960000005
MdlNumber:
MFCD18259975
Smiles:
OC(=O)CCc1ccc(cn1)C(F)(F)F
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: CCC(C1=NN=C(O1)N)(C(F)(F)F)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CCC(C1=NN=C(O1)N)(C(F)(F)F)O
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: Brc1cc(N)c2n(c1)cc(n2)C
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Smiles:
Brc1cc(N)c2n(c1)cc(n2)C
Complexity:
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RotatableBondCount:
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Smiles: c1csc(c1)c1cc2c(s1)c1c(s2)cc(s1)c1cccs1
Complexity: __
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Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
c1csc(c1)c1cc2c(s1)c1c(s2)cc(s1)c1cccs1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__