AE62763
1375068-98-6 | 3-[(3-Methylbutane)sulfonyl]aniline
Manufacturer: A2B Chem
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CatalogNumber
AE62763
ChemicalName
3-[(3-Methylbutane)sulfonyl]aniline
CasNumber
1375068-98-6
MolecularFormula
C11H17NO2S
MolecularWeight
227.3232
MdlNumber
MFCD22205835
Smiles
CC(CCS(=O)(=O)c1cccc(c1)N)C
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2
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CatalogNumber: AE62763
ChemicalName: 3-[(3-Methylbutane)sulfonyl]aniline
CasNumber: 1375068-98-6
MolecularFormula: C11H17NO2S
MolecularWeight: 227.3232
MdlNumber: MFCD22205835
Smiles: CC(CCS(=O)(=O)c1cccc(c1)N)C
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2
CatalogNumber:
AE62763
ChemicalName:
3-[(3-Methylbutane)sulfonyl]aniline
CasNumber:
1375068-98-6
MolecularFormula:
C11H17NO2S
MolecularWeight:
227.3232
MdlNumber:
MFCD22205835
Smiles:
CC(CCS(=O)(=O)c1cccc(c1)N)C
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2
CatalogNumber: AE62764
ChemicalName: Methyl 3-(t-butylamino)-4-nitrobenzoate
CasNumber: 1420800-35-6
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD22689079
Smiles: COC(=O)c1ccc(c(c1)NC(C)(C)C)[N+](=O)[O-]
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AE62764
ChemicalName:
Methyl 3-(t-butylamino)-4-nitrobenzoate
CasNumber:
1420800-35-6
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD22689079
Smiles:
COC(=O)c1ccc(c(c1)NC(C)(C)C)[N+](=O)[O-]
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: AE62765
ChemicalName: 5-Iodo-3-methyl-1-(THP)pyrazole
CasNumber: 1345471-37-5
MolecularFormula: C9H13IN2O
MolecularWeight: 292.1168
MdlNumber: MFCD20441934
Smiles: Cc1nn(c(c1)I)C1CCCCO1
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AE62765
ChemicalName:
5-Iodo-3-methyl-1-(THP)pyrazole
CasNumber:
1345471-37-5
MolecularFormula:
C9H13IN2O
MolecularWeight:
292.1168
MdlNumber:
MFCD20441934
Smiles:
Cc1nn(c(c1)I)C1CCCCO1
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: CC(CCN1CCC(CC1)N)C.Cl.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
__
CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CCN1CCC(CC1)N)C.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__