AI39648
180297-57-8 | 2-Methanesulfonyl-5-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI39648
ChemicalName
2-Methanesulfonyl-5-nitrobenzonitrile
CasNumber
180297-57-8
MolecularFormula
C8H6N2O4S
MolecularWeight
226.2092
MdlNumber
MFCD28962761
Smiles
N#Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity
397
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AI39648
ChemicalName: 2-Methanesulfonyl-5-nitrobenzonitrile
CasNumber: 180297-57-8
MolecularFormula: C8H6N2O4S
MolecularWeight: 226.2092
MdlNumber: MFCD28962761
Smiles: N#Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity: 397
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AI39648
ChemicalName:
2-Methanesulfonyl-5-nitrobenzonitrile
CasNumber:
180297-57-8
MolecularFormula:
C8H6N2O4S
MolecularWeight:
226.2092
MdlNumber:
MFCD28962761
Smiles:
N#Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Complexity:
397
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
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Smiles: NCCCOc1ccc(cc1)c1nnc(nn1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
NCCCOc1ccc(cc1)c1nnc(nn1)C
Complexity:
__
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__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: FC(c1nccc(c1F)N)F.Cl
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Smiles:
FC(c1nccc(c1F)N)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: COC(=O)C1CC(C1)(O)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)C1CC(C1)(O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__