AI04826
1001026-41-0 | 1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI04826
ChemicalName
1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid
CasNumber
1001026-41-0
MolecularFormula
C6H6F3NO3
MolecularWeight
197.1119
MdlNumber
MFCD22421758
Smiles
O=C(C(F)(F)F)N1CC(C1)C(=O)O
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.1
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CatalogNumber: AI04826
ChemicalName: 1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid
CasNumber: 1001026-41-0
MolecularFormula: C6H6F3NO3
MolecularWeight: 197.1119
MdlNumber: MFCD22421758
Smiles: O=C(C(F)(F)F)N1CC(C1)C(=O)O
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.1
CatalogNumber:
AI04826
ChemicalName:
1-(2,2,2-Trifluoroacetyl)-3-azetidinecarboxylic acid
CasNumber:
1001026-41-0
MolecularFormula:
C6H6F3NO3
MolecularWeight:
197.1119
MdlNumber:
MFCD22421758
Smiles:
O=C(C(F)(F)F)N1CC(C1)C(=O)O
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)c1ccc(cc1)c1ccc(c(c1)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)c1ccc(cc1)c1ccc(c(c1)C)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)c1ccc(cc1)c1ccc(cc1F)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)c1ccc(cc1)c1ccc(cc1F)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: CC1C2=C(CS1)N=CN=C2Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1C2=C(CS1)N=CN=C2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__