AI39131
17417-12-8 | 5-Nitro-2-(pyrazol-1-yl)benzonitrile
Manufacturer: A2B Chem
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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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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Nc1[nH]c(=S)n(n1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
Nc1[nH]c(=S)n(n1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1cc2c(n1C(=O)OC(C)(C)C)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OCc1cc2c(n1C(=O)OC(C)(C)C)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: BrCc1nn(c2c1cccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1nn(c2c1cccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__