AB49460
4098-06-0 | 3,4,6-Tri-O-acetyl-D-galactal
Manufacturer: A2B Chem
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CatalogNumber
AB49460
ChemicalName
3,4,6-Tri-O-acetyl-D-galactal
CasNumber
4098-06-0
MolecularFormula
C12H16O7
MolecularWeight
272.2512
MdlNumber
MFCD00064092
Smiles
CC(=O)OC[C@H]1OC=C[C@H]([C@H]1OC(=O)C)OC(=O)C
Complexity
388
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
RotatableBondCount
7
Xlogp3
0.2
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CatalogNumber: AB49460
ChemicalName: 3,4,6-Tri-O-acetyl-D-galactal
CasNumber: 4098-06-0
MolecularFormula: C12H16O7
MolecularWeight: 272.2512
MdlNumber: MFCD00064092
Smiles: CC(=O)OC[C@H]1OC=C[C@H]([C@H]1OC(=O)C)OC(=O)C
Complexity: 388
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
RotatableBondCount: 7
Xlogp3: 0.2
CatalogNumber:
AB49460
ChemicalName:
3,4,6-Tri-O-acetyl-D-galactal
CasNumber:
4098-06-0
MolecularFormula:
C12H16O7
MolecularWeight:
272.2512
MdlNumber:
MFCD00064092
Smiles:
CC(=O)OC[C@H]1OC=C[C@H]([C@H]1OC(=O)C)OC(=O)C
Complexity:
388
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
RotatableBondCount:
7
Xlogp3:
0.2
CatalogNumber: AB49461
ChemicalName: 3-(Trifluoromethyl)benzyl bromide
CasNumber: 402-23-3
MolecularFormula: C8H6BrF3
MolecularWeight: 239.0324
MdlNumber: MFCD00000395
Smiles: BrCc1cccc(c1)C(F)(F)F
Complexity: 144
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.7
CatalogNumber:
AB49461
ChemicalName:
3-(Trifluoromethyl)benzyl bromide
CasNumber:
402-23-3
MolecularFormula:
C8H6BrF3
MolecularWeight:
239.0324
MdlNumber:
MFCD00000395
Smiles:
BrCc1cccc(c1)C(F)(F)F
Complexity:
144
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1CCC(CC1)C(=O)c1ccc2c(c1)cc1c(n2)OCCC1
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1CCC(CC1)C(=O)c1ccc2c(c1)cc1c(n2)OCCC1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB49464
ChemicalName: 2,3,6,7-Tetrachloroquinoxaline
CasNumber: 25983-14-6
MolecularFormula: C8H2Cl4N2
MolecularWeight: 267.9269
MdlNumber: MFCD00012333
Smiles: Clc1cc2nc(Cl)c(nc2cc1Cl)Cl
Complexity: 194
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 4.4
CatalogNumber:
AB49464
ChemicalName:
2,3,6,7-Tetrachloroquinoxaline
CasNumber:
25983-14-6
MolecularFormula:
C8H2Cl4N2
MolecularWeight:
267.9269
MdlNumber:
MFCD00012333
Smiles:
Clc1cc2nc(Cl)c(nc2cc1Cl)Cl
Complexity:
194
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
4.4