AC20178
849035-63-8 | 2,4-Dimethyl-5-(methylsulfonyl)aniline
Manufacturer: A2B Chem
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CatalogNumber
AC20178
ChemicalName
2,4-Dimethyl-5-(methylsulfonyl)aniline
CasNumber
849035-63-8
MolecularFormula
C9H13NO2S
MolecularWeight
199.27
MdlNumber
MFCD04037922
Smiles
Cc1cc(C)c(cc1S(=O)(=O)C)N
Complexity
268
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.2
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CatalogNumber: AC20178
ChemicalName: 2,4-Dimethyl-5-(methylsulfonyl)aniline
CasNumber: 849035-63-8
MolecularFormula: C9H13NO2S
MolecularWeight: 199.27
MdlNumber: MFCD04037922
Smiles: Cc1cc(C)c(cc1S(=O)(=O)C)N
Complexity: 268
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.2
CatalogNumber:
AC20178
ChemicalName:
2,4-Dimethyl-5-(methylsulfonyl)aniline
CasNumber:
849035-63-8
MolecularFormula:
C9H13NO2S
MolecularWeight:
199.27
MdlNumber:
MFCD04037922
Smiles:
Cc1cc(C)c(cc1S(=O)(=O)C)N
Complexity:
268
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: Brc1cnc(nc1)N1CCNCCC1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1cnc(nc1)N1CCNCCC1
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COCCNC1CCN(CC1)C(=O)C
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Smiles:
COCCNC1CCN(CC1)C(=O)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(c1cccc(c1)C(F)(F)F)Cc1ccc2c(n1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
O=C(c1cccc(c1)C(F)(F)F)Cc1ccc2c(n1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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