AB09116
1998-86-3 | 1-(2-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB09116
ChemicalName
1-(2-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CasNumber
1998-86-3
MolecularFormula
C11H10FNO3
MolecularWeight
223.2004
MdlNumber
MFCD01330894
Smiles
OC(=O)C1CC(=O)N(C1)c1ccccc1F
Complexity
308
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
Xlogp3
0.6
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CatalogNumber: AB09116
ChemicalName: 1-(2-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CasNumber: 1998-86-3
MolecularFormula: C11H10FNO3
MolecularWeight: 223.2004
MdlNumber: MFCD01330894
Smiles: OC(=O)C1CC(=O)N(C1)c1ccccc1F
Complexity: 308
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.6
CatalogNumber:
AB09116
ChemicalName:
1-(2-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CasNumber:
1998-86-3
MolecularFormula:
C11H10FNO3
MolecularWeight:
223.2004
MdlNumber:
MFCD01330894
Smiles:
OC(=O)C1CC(=O)N(C1)c1ccccc1F
Complexity:
308
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.6
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Smiles: Nc1c(F)c(F)c(c(c1F)F)Br
Complexity: __
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RotatableBondCount: __
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Xlogp3: __
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Smiles:
Nc1c(F)c(F)c(c(c1F)F)Br
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Smiles: Clc1nc(c2c(n1)[nH]cn2)C(F)(F)F
Complexity: __
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Smiles:
Clc1nc(c2c(n1)[nH]cn2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: Fc1c(O)c(Br)c(c(c1F)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1c(O)c(Br)c(c(c1F)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__