AI41529
1845690-57-4 | 2,4-Dimethanesulfonylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AI41529
ChemicalName
2,4-Dimethanesulfonylbenzaldehyde
CasNumber
1845690-57-4
MolecularFormula
C9H10O5S2
MolecularWeight
262.3027
MdlNumber
MFCD28962763
Smiles
O=Cc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Complexity
451
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
-0.1
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CatalogNumber: AI41529
ChemicalName: 2,4-Dimethanesulfonylbenzaldehyde
CasNumber: 1845690-57-4
MolecularFormula: C9H10O5S2
MolecularWeight: 262.3027
MdlNumber: MFCD28962763
Smiles: O=Cc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Complexity: 451
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: -0.1
CatalogNumber:
AI41529
ChemicalName:
2,4-Dimethanesulfonylbenzaldehyde
CasNumber:
1845690-57-4
MolecularFormula:
C9H10O5S2
MolecularWeight:
262.3027
MdlNumber:
MFCD28962763
Smiles:
O=Cc1ccc(cc1S(=O)(=O)C)S(=O)(=O)C
Complexity:
451
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
-0.1
CatalogNumber: AI41530
ChemicalName: 3-Bromo-6-chloro-N-methylpyridin-2-amine
CasNumber: 1845690-58-5
MolecularFormula: C6H6BrClN2
MolecularWeight: 221.48224
MdlNumber: MFCD28515408
Smiles: CNc1nc(Cl)ccc1Br
Complexity: 112
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AI41530
ChemicalName:
3-Bromo-6-chloro-N-methylpyridin-2-amine
CasNumber:
1845690-58-5
MolecularFormula:
C6H6BrClN2
MolecularWeight:
221.48224
MdlNumber:
MFCD28515408
Smiles:
CNc1nc(Cl)ccc1Br
Complexity:
112
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nc(O)c(cc1Br)Br
Complexity: 333
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nc(O)c(cc1Br)Br
Complexity:
333
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: AI41532
ChemicalName: Ethyl 1-cyclopentyl-1,3-benzodiazole-5-carboxylate
CasNumber: 1845690-60-9
MolecularFormula: C15H18N2O2
MolecularWeight: 258.3156
MdlNumber: MFCD28962784
Smiles: CCOC(=O)c1ccc2c(c1)ncn2C1CCCC1
Complexity: 328
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.8
CatalogNumber:
AI41532
ChemicalName:
Ethyl 1-cyclopentyl-1,3-benzodiazole-5-carboxylate
CasNumber:
1845690-60-9
MolecularFormula:
C15H18N2O2
MolecularWeight:
258.3156
MdlNumber:
MFCD28962784
Smiles:
CCOC(=O)c1ccc2c(c1)ncn2C1CCCC1
Complexity:
328
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.8