AF72429
41717-32-2 | 1-Benzofuran-2-carbonitrile
Manufacturer: A2B Chem
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CatalogNumber
AF72429
ChemicalName
1-Benzofuran-2-carbonitrile
CasNumber
41717-32-2
MolecularFormula
C9H5NO
MolecularWeight
143.1421
MdlNumber
MFCD01659779
Smiles
N#Cc1cc2c(o1)cccc2
Complexity
193
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
Xlogp3
2.6
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CatalogNumber: AF72429
ChemicalName: 1-Benzofuran-2-carbonitrile
CasNumber: 41717-32-2
MolecularFormula: C9H5NO
MolecularWeight: 143.1421
MdlNumber: MFCD01659779
Smiles: N#Cc1cc2c(o1)cccc2
Complexity: 193
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
Xlogp3: 2.6
CatalogNumber:
AF72429
ChemicalName:
1-Benzofuran-2-carbonitrile
CasNumber:
41717-32-2
MolecularFormula:
C9H5NO
MolecularWeight:
143.1421
MdlNumber:
MFCD01659779
Smiles:
N#Cc1cc2c(o1)cccc2
Complexity:
193
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
Xlogp3:
2.6
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Smiles: CCCCCCCCc1csc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
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Smiles:
CCCCCCCCc1csc(c1)B1OC(C(O1)(C)C)(C)C
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Smiles: OCC[N+](CCCS(=O)(=O)O)(C)C.[OH-]
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Smiles:
OCC[N+](CCCS(=O)(=O)O)(C)C.[OH-]
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Smiles: C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C1(C)OCCO1)C)OCCO3
Complexity: __
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Smiles:
C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C1(C)OCCO1)C)OCCO3
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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Xlogp3:
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