AI10741
116436-09-0 | 2-(Acetylamino)-5-methylbenzenesulfonyl chloride
Manufacturer: A2B Chem
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CatalogNumber
AI10741
ChemicalName
2-(Acetylamino)-5-methylbenzenesulfonyl chloride
CasNumber
116436-09-0
MolecularFormula
C9H10ClNO3S
MolecularWeight
247.6986
MdlNumber
MFCD08752862
Smiles
CC(=O)Nc1ccc(cc1S(=O)(=O)Cl)C
Complexity
336
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AI10741
ChemicalName: 2-(Acetylamino)-5-methylbenzenesulfonyl chloride
CasNumber: 116436-09-0
MolecularFormula: C9H10ClNO3S
MolecularWeight: 247.6986
MdlNumber: MFCD08752862
Smiles: CC(=O)Nc1ccc(cc1S(=O)(=O)Cl)C
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AI10741
ChemicalName:
2-(Acetylamino)-5-methylbenzenesulfonyl chloride
CasNumber:
116436-09-0
MolecularFormula:
C9H10ClNO3S
MolecularWeight:
247.6986
MdlNumber:
MFCD08752862
Smiles:
CC(=O)Nc1ccc(cc1S(=O)(=O)Cl)C
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.9
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Smiles: O=C([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)N1CCC(CC1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)N1CCC(CC1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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RotatableBondCount:
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__
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Smiles: Clc1ccc(cc1)CNC1CCCC1.Cl
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Smiles:
Clc1ccc(cc1)CNC1CCCC1.Cl
Complexity:
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Covalently-bondedUnitCount:
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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/N=C1/c2ccccc2N(C1=O)Cc1c(Cl)cccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O/N=C1/c2ccccc2N(C1=O)Cc1c(Cl)cccc1Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__