AE25813
1188926-14-8 | 5-Bromo-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AE25813
ChemicalName
5-Bromo-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)nicotinic acid
CasNumber
1188926-14-8
MolecularFormula
C9H4BrF6NO3
MolecularWeight
368.0274
MdlNumber
MFCD26961059
Smiles
Brc1cc(C(=O)O)c(nc1OCC(F)(F)F)C(F)(F)F
Complexity
361
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AE25813
ChemicalName: 5-Bromo-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)nicotinic acid
CasNumber: 1188926-14-8
MolecularFormula: C9H4BrF6NO3
MolecularWeight: 368.0274
MdlNumber: MFCD26961059
Smiles: Brc1cc(C(=O)O)c(nc1OCC(F)(F)F)C(F)(F)F
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AE25813
ChemicalName:
5-Bromo-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)nicotinic acid
CasNumber:
1188926-14-8
MolecularFormula:
C9H4BrF6NO3
MolecularWeight:
368.0274
MdlNumber:
MFCD26961059
Smiles:
Brc1cc(C(=O)O)c(nc1OCC(F)(F)F)C(F)(F)F
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
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MolecularFormula: __
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Smiles: OB(c1ccc2c(c1)CN(CC2)C(=O)OC(C)(C)C)O
Complexity: __
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HeavyAtomCount: __
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Smiles:
OB(c1ccc2c(c1)CN(CC2)C(=O)OC(C)(C)C)O
Complexity:
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Smiles: OCCc1cc(ccn1)C#N
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Smiles:
OCCc1cc(ccn1)C#N
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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__
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Smiles: O=Cc1cc(N)cc(n1)Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
O=Cc1cc(N)cc(n1)Br
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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