AI57489
85862-71-1 | 4-(1H-1,2,3-Triazol-1yl)-benzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI57489
ChemicalName
4-(1H-1,2,3-Triazol-1yl)-benzonitrile
CasNumber
85862-71-1
MolecularFormula
C9H6N4
MolecularWeight
170.17074
MdlNumber
MFCD11100734
Smiles
N#Cc1ccc(cc1)n1ccnn1
Complexity
211
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AI57489
ChemicalName: 4-(1H-1,2,3-Triazol-1yl)-benzonitrile
CasNumber: 85862-71-1
MolecularFormula: C9H6N4
MolecularWeight: 170.17074
MdlNumber: MFCD11100734
Smiles: N#Cc1ccc(cc1)n1ccnn1
Complexity: 211
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AI57489
ChemicalName:
4-(1H-1,2,3-Triazol-1yl)-benzonitrile
CasNumber:
85862-71-1
MolecularFormula:
C9H6N4
MolecularWeight:
170.17074
MdlNumber:
MFCD11100734
Smiles:
N#Cc1ccc(cc1)n1ccnn1
Complexity:
211
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.1
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Smiles: Oc1nc2c(s1)cccc2O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
Oc1nc2c(s1)cccc2O
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COC1=C2C(=CC=C1)SC(=N2)OC
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Smiles:
COC1=C2C(=CC=C1)SC(=N2)OC
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: CCN(S(=O)(=O)c1ccccc1Cl)CC
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CCN(S(=O)(=O)c1ccccc1Cl)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__