AI50843
475561-90-1 | 4-Fluoro-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI50843
ChemicalName
4-Fluoro-1h-pyrrole-2-carboxylic acid
CasNumber
475561-90-1
MolecularFormula
C5H4FNO2
MolecularWeight
129.0891632
MdlNumber
MFCD18449433
Smiles
OC(=O)c1cc(c[nH]1)F
Complexity
128
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AI50843
ChemicalName: 4-Fluoro-1h-pyrrole-2-carboxylic acid
CasNumber: 475561-90-1
MolecularFormula: C5H4FNO2
MolecularWeight: 129.0891632
MdlNumber: MFCD18449433
Smiles: OC(=O)c1cc(c[nH]1)F
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AI50843
ChemicalName:
4-Fluoro-1h-pyrrole-2-carboxylic acid
CasNumber:
475561-90-1
MolecularFormula:
C5H4FNO2
MolecularWeight:
129.0891632
MdlNumber:
MFCD18449433
Smiles:
OC(=O)c1cc(c[nH]1)F
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: O=C(OC(C)(C)C)NCCOCCOCCNC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=C(OC(C)(C)C)NCCOCCOCCNC(=O)OC(C)(C)C
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: Cc1cc(C)nc(n1)n1nc(cc1N)C
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Smiles:
Cc1cc(C)nc(n1)n1nc(cc1N)C
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1ccc2c(c1Br)ccc(n2)C
Complexity: __
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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:
COc1ccc2c(c1Br)ccc(n2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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