AB12223
190723-12-7 | 2,5-Dibromothiophene-3,4-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB12223
ChemicalName
2,5-Dibromothiophene-3,4-dicarboxylic acid
CasNumber
190723-12-7
MolecularFormula
C6H2Br2O4S
MolecularWeight
329.9507
MdlNumber
MFCD08695787
Smiles
OC(=O)c1c(Br)sc(c1C(=O)O)Br
Complexity
223
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.7
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CatalogNumber: AB12223
ChemicalName: 2,5-Dibromothiophene-3,4-dicarboxylic acid
CasNumber: 190723-12-7
MolecularFormula: C6H2Br2O4S
MolecularWeight: 329.9507
MdlNumber: MFCD08695787
Smiles: OC(=O)c1c(Br)sc(c1C(=O)O)Br
Complexity: 223
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AB12223
ChemicalName:
2,5-Dibromothiophene-3,4-dicarboxylic acid
CasNumber:
190723-12-7
MolecularFormula:
C6H2Br2O4S
MolecularWeight:
329.9507
MdlNumber:
MFCD08695787
Smiles:
OC(=O)c1c(Br)sc(c1C(=O)O)Br
Complexity:
223
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.7
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Smiles: O=C1C=CC(=O)N1CCN1CCNCC1.Cl.Cl
Complexity: __
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
O=C1C=CC(=O)N1CCN1CCNCC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CNCc1c(O)ccc2c1cc1Cn3c(-c1n2)cc1c(c3=O)COC(=O)[C@]1(O)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNCc1c(O)ccc2c1cc1Cn3c(-c1n2)cc1c(c3=O)COC(=O)[C@]1(O)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__