AB48284
715-11-7 | sec-Butyl 4-methylbenzenesulfonate
Manufacturer: A2B Chem
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CatalogNumber
AB48284
ChemicalName
sec-Butyl 4-methylbenzenesulfonate
CasNumber
715-11-7
MolecularFormula
C11H16O3S
MolecularWeight
228.3079
MdlNumber
MFCD24660588
Smiles
CCC(OS(=O)(=O)c1ccc(cc1)C)C
Complexity
271
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.9
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CatalogNumber: AB48284
ChemicalName: sec-Butyl 4-methylbenzenesulfonate
CasNumber: 715-11-7
MolecularFormula: C11H16O3S
MolecularWeight: 228.3079
MdlNumber: MFCD24660588
Smiles: CCC(OS(=O)(=O)c1ccc(cc1)C)C
Complexity: 271
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.9
CatalogNumber:
AB48284
ChemicalName:
sec-Butyl 4-methylbenzenesulfonate
CasNumber:
715-11-7
MolecularFormula:
C11H16O3S
MolecularWeight:
228.3079
MdlNumber:
MFCD24660588
Smiles:
CCC(OS(=O)(=O)c1ccc(cc1)C)C
Complexity:
271
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1[nH]c(=O)c2c([nH]1)nc[nH]2
Complexity: 217
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1[nH]c(=O)c2c([nH]1)nc[nH]2
Complexity:
217
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C=NCCCCC(C(=O)OCCN=C=O)N=C=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C=NCCCCC(C(=O)OCCN=C=O)N=C=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB48287
ChemicalName: 3-Bromo-4-methyl-5-nitropyridine
CasNumber: 69872-15-7
MolecularFormula: C6H5BrN2O2
MolecularWeight: 217.0201
MdlNumber: MFCD11847767
Smiles: [O-][N+](=O)c1cncc(c1C)Br
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 1.7
CatalogNumber:
AB48287
ChemicalName:
3-Bromo-4-methyl-5-nitropyridine
CasNumber:
69872-15-7
MolecularFormula:
C6H5BrN2O2
MolecularWeight:
217.0201
MdlNumber:
MFCD11847767
Smiles:
[O-][N+](=O)c1cncc(c1C)Br
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
1.7