AI13427
1208406-84-1 | 3,4-Dimethanesulfonylbenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI13427
ChemicalName
3,4-Dimethanesulfonylbenzonitrile
CasNumber
1208406-84-1
MolecularFormula
C9H9NO4S2
MolecularWeight
259.3021
MdlNumber
MFCD12922829
Smiles
N#Cc1ccc(c(c1)S(=O)(=O)C)S(=O)(=O)C
Complexity
500
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
0.1
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CatalogNumber: AI13427
ChemicalName: 3,4-Dimethanesulfonylbenzonitrile
CasNumber: 1208406-84-1
MolecularFormula: C9H9NO4S2
MolecularWeight: 259.3021
MdlNumber: MFCD12922829
Smiles: N#Cc1ccc(c(c1)S(=O)(=O)C)S(=O)(=O)C
Complexity: 500
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AI13427
ChemicalName:
3,4-Dimethanesulfonylbenzonitrile
CasNumber:
1208406-84-1
MolecularFormula:
C9H9NO4S2
MolecularWeight:
259.3021
MdlNumber:
MFCD12922829
Smiles:
N#Cc1ccc(c(c1)S(=O)(=O)C)S(=O)(=O)C
Complexity:
500
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.1
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Smiles: FC(C(C(C(C(C(Br)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Complexity: __
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Smiles:
FC(C(C(C(C(C(Br)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
Complexity:
__
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Smiles: O=C(OC(C)(C)C)NC1CC2CCCC(C1)N2
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Smiles:
O=C(OC(C)(C)C)NC1CC2CCCC(C1)N2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: C=CCC1CN(CC1=O)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C=CCC1CN(CC1=O)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__