AE10959
1022968-46-2 | 2-(Isopropylsulfonyl)aniline HCl
Manufacturer: A2B Chem
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CatalogNumber
AE10959
ChemicalName
2-(Isopropylsulfonyl)aniline HCl
CasNumber
1022968-46-2
MolecularFormula
C9H14ClNO2S
MolecularWeight
235.731
MdlNumber
MFCD21333102
Smiles
Nc1ccccc1S(=O)(=O)C(C)C.Cl
Complexity
253
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
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CatalogNumber: AE10959
ChemicalName: 2-(Isopropylsulfonyl)aniline HCl
CasNumber: 1022968-46-2
MolecularFormula: C9H14ClNO2S
MolecularWeight: 235.731
MdlNumber: MFCD21333102
Smiles: Nc1ccccc1S(=O)(=O)C(C)C.Cl
Complexity: 253
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AE10959
ChemicalName:
2-(Isopropylsulfonyl)aniline HCl
CasNumber:
1022968-46-2
MolecularFormula:
C9H14ClNO2S
MolecularWeight:
235.731
MdlNumber:
MFCD21333102
Smiles:
Nc1ccccc1S(=O)(=O)C(C)C.Cl
Complexity:
253
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
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Smiles: COc1ccc(cc1S(=O)(=O)N)C[C@H](NC(=O)C)C
Complexity: __
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HeavyAtomCount: __
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Smiles:
COc1ccc(cc1S(=O)(=O)N)C[C@H](NC(=O)C)C
Complexity:
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Smiles: O[C@@H](C1CC1)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=CC=C1C[C@H](C[C@@H](C1=C)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)C
Complexity: __
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Smiles:
O[C@@H](C1CC1)/C=C/[C@H]([C@H]1CC[C@@H]2[C@]1(C)CCCC2=CC=C1C[C@H](C[C@@H](C1=C)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)C
Complexity:
__
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O[C@H]1C[C@H](O)C(=C)C(=CC=C2CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C2CC2)O)C)C)C1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O[C@H]1C[C@H](O)C(=C)C(=CC=C2CCC[C@]3([C@H]2CC[C@@H]3[C@@H](CC[C@H](C2CC2)O)C)C)C1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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