AI44462
20073-19-2 | 5-Bromo-6-methoxybenzofuran-2-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI44462
ChemicalName
5-Bromo-6-methoxybenzofuran-2-carboxylic acid
CasNumber
20073-19-2
MolecularFormula
C10H7BrO4
MolecularWeight
271.0642
MdlNumber
MFCD20534855
Smiles
COc1cc2oc(cc2cc1Br)C(=O)O
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AI44462
ChemicalName: 5-Bromo-6-methoxybenzofuran-2-carboxylic acid
CasNumber: 20073-19-2
MolecularFormula: C10H7BrO4
MolecularWeight: 271.0642
MdlNumber: MFCD20534855
Smiles: COc1cc2oc(cc2cc1Br)C(=O)O
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI44462
ChemicalName:
5-Bromo-6-methoxybenzofuran-2-carboxylic acid
CasNumber:
20073-19-2
MolecularFormula:
C10H7BrO4
MolecularWeight:
271.0642
MdlNumber:
MFCD20534855
Smiles:
COc1cc2oc(cc2cc1Br)C(=O)O
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1cc(OC)ccc1CN1CCNC(=O)[C@@H]1C.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1cc(OC)ccc1CN1CCNC(=O)[C@@H]1C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COc1cc(ccc1[N+]#[C-])[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COc1cc(ccc1[N+]#[C-])[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CSc1nnc(n1c1ccccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CSc1nnc(n1c1ccccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__