AF28687
3126-90-7 | Dibutyl isophthalate
Manufacturer: A2B Chem
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CatalogNumber
AF28687
ChemicalName
Dibutyl isophthalate
CasNumber
3126-90-7
MolecularFormula
C16H22O4
MolecularWeight
278.3435
MdlNumber
MFCD01717598
Smiles
CCCCOC(=O)c1cccc(c1)C(=O)OCCCC
NscNumber
6348
Complexity
273
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
10
Xlogp3
5.5
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CatalogNumber: AF28687
ChemicalName: Dibutyl isophthalate
CasNumber: 3126-90-7
MolecularFormula: C16H22O4
MolecularWeight: 278.3435
MdlNumber: MFCD01717598
Smiles: CCCCOC(=O)c1cccc(c1)C(=O)OCCCC
NscNumber: 6348
Complexity: 273
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 10
Xlogp3: 5.5
CatalogNumber:
AF28687
ChemicalName:
Dibutyl isophthalate
CasNumber:
3126-90-7
MolecularFormula:
C16H22O4
MolecularWeight:
278.3435
MdlNumber:
MFCD01717598
Smiles:
CCCCOC(=O)c1cccc(c1)C(=O)OCCCC
NscNumber:
6348
Complexity:
273
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
10
Xlogp3:
5.5
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Smiles: C=CCNc1nc(nc(n1)NCC=C)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
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Complexity: __
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Smiles:
C=CCNc1nc(nc(n1)NCC=C)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
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Smiles: CCC(c1ccc(cc1)CCl)(C)C
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Smiles:
CCC(c1ccc(cc1)CCl)(C)C
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HydrogenBondAcceptorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
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NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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