AI56533
79600-77-4 | 5-Chloro-1h-pyrrole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI56533
ChemicalName
5-Chloro-1h-pyrrole-3-carboxylic acid
CasNumber
79600-77-4
MolecularFormula
C5H4ClNO2
MolecularWeight
145.54376
MdlNumber
MFCD19216506
Smiles
OC(=O)c1c[nH]c(c1)Cl
Complexity
128
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AI56533
ChemicalName: 5-Chloro-1h-pyrrole-3-carboxylic acid
CasNumber: 79600-77-4
MolecularFormula: C5H4ClNO2
MolecularWeight: 145.54376
MdlNumber: MFCD19216506
Smiles: OC(=O)c1c[nH]c(c1)Cl
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AI56533
ChemicalName:
5-Chloro-1h-pyrrole-3-carboxylic acid
CasNumber:
79600-77-4
MolecularFormula:
C5H4ClNO2
MolecularWeight:
145.54376
MdlNumber:
MFCD19216506
Smiles:
OC(=O)c1c[nH]c(c1)Cl
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CCOC(=O)c1c(F)cc(cc1F)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
CCOC(=O)c1c(F)cc(cc1F)O
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: ClCc1nnc(o1)c1cc(oc1C)C
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Smiles:
ClCc1nnc(o1)c1cc(oc1C)C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: ClCc1nnc(o1)c1cc2c(s1)CCCC2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
ClCc1nnc(o1)c1cc2c(s1)CCCC2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__