AH85206
906673-24-3 | 4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AH85206
ChemicalName
4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile
CasNumber
906673-24-3
MolecularFormula
C14H10BNO3
MolecularWeight
251.0451
MdlNumber
MFCD17169940
Smiles
N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O
Complexity
361
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AH85206
ChemicalName: 4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile
CasNumber: 906673-24-3
MolecularFormula: C14H10BNO3
MolecularWeight: 251.0451
MdlNumber: MFCD17169940
Smiles: N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AH85206
ChemicalName:
4-((1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-5-yl)oxy)benzonitrile
CasNumber:
906673-24-3
MolecularFormula:
C14H10BNO3
MolecularWeight:
251.0451
MdlNumber:
MFCD17169940
Smiles:
N#Cc1ccc(cc1)Oc1ccc2c(c1)COB2O
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
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Smiles: O=C(N1CCC[C@](C1)(Cc1ccccc1)C(=O)N(N(C)C)C)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2.Cl
Complexity: __
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Smiles:
O=C(N1CCC[C@](C1)(Cc1ccccc1)C(=O)N(N(C)C)C)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2.Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C
Complexity: 740
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Smiles:
COc1c(ncnc1Nc1ccc(nc1C)S(=O)(=O)C)OC1CCN(CC1)C(=O)OC(C)C
Complexity:
740
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C
Complexity: __
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CatalogNumber:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
Cc1cc(ccc1Oc1ccn2c(c1)ncn2)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__