AB32831
27746-03-8 | 4-Chloro-1h-pyrrole-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB32831
ChemicalName
4-Chloro-1h-pyrrole-2-carboxylic acid
CasNumber
27746-03-8
MolecularFormula
C5H4ClNO2
MolecularWeight
145.5438
MdlNumber
MFCD07343826
Smiles
OC(=O)c1cc(c[nH]1)Cl
Complexity
128
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AB32831
ChemicalName: 4-Chloro-1h-pyrrole-2-carboxylic acid
CasNumber: 27746-03-8
MolecularFormula: C5H4ClNO2
MolecularWeight: 145.5438
MdlNumber: MFCD07343826
Smiles: OC(=O)c1cc(c[nH]1)Cl
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AB32831
ChemicalName:
4-Chloro-1h-pyrrole-2-carboxylic acid
CasNumber:
27746-03-8
MolecularFormula:
C5H4ClNO2
MolecularWeight:
145.5438
MdlNumber:
MFCD07343826
Smiles:
OC(=O)c1cc(c[nH]1)Cl
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AB32832
ChemicalName: 4-Bromo-1H-pyrrole-2-carboxylic acid
CasNumber: 27746-02-7
MolecularFormula: C5H4BrNO2
MolecularWeight: 189.9948
MdlNumber: MFCD00832862
Smiles: OC(=O)c1cc(c[nH]1)Br
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB32832
ChemicalName:
4-Bromo-1H-pyrrole-2-carboxylic acid
CasNumber:
27746-02-7
MolecularFormula:
C5H4BrNO2
MolecularWeight:
189.9948
MdlNumber:
MFCD00832862
Smiles:
OC(=O)c1cc(c[nH]1)Br
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
1.3
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Smiles: FC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)OC(C(S(=O)(=O)F)(F)F)(F)F
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Smiles:
FC(C(OC(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)OC(C(S(=O)(=O)F)(F)F)(F)F
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Smiles: C1=CC=NC(=C1)C(=O)O.C1=CC=NC(=C1)C(=O)O.[Cu]
Complexity: __
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MolecularWeight:
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Smiles:
C1=CC=NC(=C1)C(=O)O.C1=CC=NC(=C1)C(=O)O.[Cu]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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