AB15702
188862-35-3 | 5-(Bromomethyl)benzofuran
Manufacturer: A2B Chem
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CatalogNumber
AB15702
ChemicalName
5-(Bromomethyl)benzofuran
CasNumber
188862-35-3
MolecularFormula
C9H7BrO
MolecularWeight
211.0553
MdlNumber
MFCD18410583
Smiles
BrCc1ccc2c(c1)cco2
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
1
RotatableBondCount
1
Xlogp3
2.9
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CatalogNumber: AB15702
ChemicalName: 5-(Bromomethyl)benzofuran
CasNumber: 188862-35-3
MolecularFormula: C9H7BrO
MolecularWeight: 211.0553
MdlNumber: MFCD18410583
Smiles: BrCc1ccc2c(c1)cco2
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AB15702
ChemicalName:
5-(Bromomethyl)benzofuran
CasNumber:
188862-35-3
MolecularFormula:
C9H7BrO
MolecularWeight:
211.0553
MdlNumber:
MFCD18410583
Smiles:
BrCc1ccc2c(c1)cco2
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: AB15703
ChemicalName: Ethyl isoquinoline-6-carboxylate
CasNumber: 188861-58-7
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD18416669
Smiles: CCOC(=O)c1ccc2c(c1)ccnc2
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB15703
ChemicalName:
Ethyl isoquinoline-6-carboxylate
CasNumber:
188861-58-7
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD18416669
Smiles:
CCOC(=O)c1ccc2c(c1)ccnc2
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.5
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Smiles: BrCc1ccc2c(c1)ccnc2.Br
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
BrCc1ccc2c(c1)ccnc2.Br
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1cc(ccc1OC)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C
Complexity: __
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Smiles:
COc1cc(ccc1OC)c1[nH]c2c(n1)cc(cc2)c1nc2c([nH]1)ccc(c2)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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