AC62314
80336-66-9 | 2-Chloro-1-(4-isobutyl)propan-1-one
Manufacturer: A2B Chem
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CatalogNumber
AC62314
ChemicalName
2-Chloro-1-(4-isobutyl)propan-1-one
CasNumber
80336-66-9
MolecularFormula
C13H17ClO
MolecularWeight
224.7265
MdlNumber
MFCD00100436
Smiles
CC(Cc1ccc(cc1)C(=O)C(Cl)C)C
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
4.2
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CatalogNumber: AC62314
ChemicalName: 2-Chloro-1-(4-isobutyl)propan-1-one
CasNumber: 80336-66-9
MolecularFormula: C13H17ClO
MolecularWeight: 224.7265
MdlNumber: MFCD00100436
Smiles: CC(Cc1ccc(cc1)C(=O)C(Cl)C)C
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 4.2
CatalogNumber:
AC62314
ChemicalName:
2-Chloro-1-(4-isobutyl)propan-1-one
CasNumber:
80336-66-9
MolecularFormula:
C13H17ClO
MolecularWeight:
224.7265
MdlNumber:
MFCD00100436
Smiles:
CC(Cc1ccc(cc1)C(=O)C(Cl)C)C
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)OCCOCCOCCOS(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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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:
CS(=O)(=O)OCCOCCOCCOS(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: ClCc1ncccc1O.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MdlNumber:
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Smiles:
ClCc1ncccc1O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: OC(=O)c1ccc(cc1)P(=O)(c1ccc(cc1)C(=O)O)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1ccc(cc1)P(=O)(c1ccc(cc1)C(=O)O)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__