AG69649
58379-84-3 | 1-Isopropyl-1-tosylmethyl isocyanide
Manufacturer: A2B Chem
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CatalogNumber
AG69649
ChemicalName
1-Isopropyl-1-tosylmethyl isocyanide
CasNumber
58379-84-3
MolecularFormula
C12H15NO2S
MolecularWeight
237.318
MdlNumber
MFCD18819007
Smiles
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)C(C)C
Complexity
364
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
2.7
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CatalogNumber: AG69649
ChemicalName: 1-Isopropyl-1-tosylmethyl isocyanide
CasNumber: 58379-84-3
MolecularFormula: C12H15NO2S
MolecularWeight: 237.318
MdlNumber: MFCD18819007
Smiles: [C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)C(C)C
Complexity: 364
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.7
CatalogNumber:
AG69649
ChemicalName:
1-Isopropyl-1-tosylmethyl isocyanide
CasNumber:
58379-84-3
MolecularFormula:
C12H15NO2S
MolecularWeight:
237.318
MdlNumber:
MFCD18819007
Smiles:
[C-]#[N+]C(S(=O)(=O)c1ccc(cc1)C)C(C)C
Complexity:
364
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.7
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Smiles: CCCC(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CCCC(S(=O)(=O)c1ccc(cc1)C)[N+]#[C-]
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Smiles: OCc1ccccc1n1cccc1
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Smiles:
OCc1ccccc1n1cccc1
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RotatableBondCount:
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Smiles: C1CCOC(C1)OCCBr
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Smiles:
C1CCOC(C1)OCCBr
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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Xlogp3:
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