AB48103
84-78-6 | Butyl octyl phthalate
Manufacturer: A2B Chem
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CatalogNumber
AB48103
ChemicalName
Butyl octyl phthalate
CasNumber
84-78-6
MolecularFormula
C20H30O4
MolecularWeight
334.4498
MdlNumber
MFCD00072261
Smiles
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC
NscNumber
69894
Complexity
354
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
4
RotatableBondCount
14
Xlogp3
6.9
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CatalogNumber: AB48103
ChemicalName: Butyl octyl phthalate
CasNumber: 84-78-6
MolecularFormula: C20H30O4
MolecularWeight: 334.4498
MdlNumber: MFCD00072261
Smiles: CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC
NscNumber: 69894
Complexity: 354
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 4
RotatableBondCount: 14
Xlogp3: 6.9
CatalogNumber:
AB48103
ChemicalName:
Butyl octyl phthalate
CasNumber:
84-78-6
MolecularFormula:
C20H30O4
MolecularWeight:
334.4498
MdlNumber:
MFCD00072261
Smiles:
CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCC
NscNumber:
69894
Complexity:
354
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
4
RotatableBondCount:
14
Xlogp3:
6.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=c1cc(C)n(c(=O)[nH]1)Cc1c(F)cccc1C(F)(F)F
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=c1cc(C)n(c(=O)[nH]1)Cc1c(F)cccc1C(F)(F)F
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB48105
ChemicalName: 1-(2-Methoxyethyl)-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber: 847818-71-7
MolecularFormula: C12H21BN2O3
MolecularWeight: 252.1177
MdlNumber: MFCD12405649
Smiles: COCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber: __
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB48105
ChemicalName:
1-(2-Methoxyethyl)-1H-pyrazole-4-boronic acid, pinacol ester
CasNumber:
847818-71-7
MolecularFormula:
C12H21BN2O3
MolecularWeight:
252.1177
MdlNumber:
MFCD12405649
Smiles:
COCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
NscNumber:
__
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc2c1ccc(=O)[nH]2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc2c1ccc(=O)[nH]2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__