AI39130
17417-11-7 | 2-(Imidazol-1-yl)-5-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI39130
ChemicalName
2-(Imidazol-1-yl)-5-nitrobenzonitrile
CasNumber
17417-11-7
MolecularFormula
C10H6N4O2
MolecularWeight
214.1802
MdlNumber
MFCD02930945
Smiles
N#Cc1cc(ccc1n1cncc1)[N+](=O)[O-]
Complexity
319
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AI39130
ChemicalName: 2-(Imidazol-1-yl)-5-nitrobenzonitrile
CasNumber: 17417-11-7
MolecularFormula: C10H6N4O2
MolecularWeight: 214.1802
MdlNumber: MFCD02930945
Smiles: N#Cc1cc(ccc1n1cncc1)[N+](=O)[O-]
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AI39130
ChemicalName:
2-(Imidazol-1-yl)-5-nitrobenzonitrile
CasNumber:
17417-11-7
MolecularFormula:
C10H6N4O2
MolecularWeight:
214.1802
MdlNumber:
MFCD02930945
Smiles:
N#Cc1cc(ccc1n1cncc1)[N+](=O)[O-]
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: AI39131
ChemicalName: 5-Nitro-2-(pyrazol-1-yl)benzonitrile
CasNumber: 17417-12-8
MolecularFormula: C10H6N4O2
MolecularWeight: 214.1802
MdlNumber: MFCD15201525
Smiles: N#Cc1cc(ccc1n1cccn1)[N+](=O)[O-]
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AI39131
ChemicalName:
5-Nitro-2-(pyrazol-1-yl)benzonitrile
CasNumber:
17417-12-8
MolecularFormula:
C10H6N4O2
MolecularWeight:
214.1802
MdlNumber:
MFCD15201525
Smiles:
N#Cc1cc(ccc1n1cccn1)[N+](=O)[O-]
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
1.4
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Smiles: Nc1[nH]c(=S)n(n1)c1ccccc1
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Smiles:
Nc1[nH]c(=S)n(n1)c1ccccc1
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Smiles: OCc1cc2c(n1C(=O)OC(C)(C)C)cccc2
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Smiles:
OCc1cc2c(n1C(=O)OC(C)(C)C)cccc2
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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