AF68931
38239-45-1 | 5-bromo-3-methylthiophene-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AF68931
ChemicalName
5-bromo-3-methylthiophene-2-carboxylic acid
CasNumber
38239-45-1
MolecularFormula
C6H5BrO2S
MolecularWeight
221.0717
MdlNumber
MFCD11040352
Smiles
Brc1cc(c(s1)C(=O)O)C
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AF68931
ChemicalName: 5-bromo-3-methylthiophene-2-carboxylic acid
CasNumber: 38239-45-1
MolecularFormula: C6H5BrO2S
MolecularWeight: 221.0717
MdlNumber: MFCD11040352
Smiles: Brc1cc(c(s1)C(=O)O)C
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AF68931
ChemicalName:
5-bromo-3-methylthiophene-2-carboxylic acid
CasNumber:
38239-45-1
MolecularFormula:
C6H5BrO2S
MolecularWeight:
221.0717
MdlNumber:
MFCD11040352
Smiles:
Brc1cc(c(s1)C(=O)O)C
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
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MolecularFormula: __
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Smiles: CCOC1=C(C=C2C(=C1)C(=CC(=O)O2)C(F)(F)F)OCC
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC1=C(C=C2C(=C1)C(=CC(=O)O2)C(F)(F)F)OCC
Complexity:
__
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__
HeavyAtomCount:
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RotatableBondCount:
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__
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Smiles: N#CCC(=O)c1ccc(nc1)Cl
Complexity: __
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Smiles:
N#CCC(=O)c1ccc(nc1)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: [C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)c1ccc(c(c1)F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__