AB45274
5891-21-4 | 5-Chloropentan-2-one
Manufacturer: A2B Chem
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CatalogNumber
AB45274
ChemicalName
5-Chloropentan-2-one
CasNumber
5891-21-4
MolecularFormula
C5H9ClO
MolecularWeight
120.5774
MdlNumber
MFCD00001008
Smiles
ClCCCC(=O)C
Complexity
61.1
Covalently-bondedUnitCount
1
HeavyAtomCount
7
HydrogenBondAcceptorCount
1
RotatableBondCount
3
Xlogp3
0.8
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CatalogNumber: AB45274
ChemicalName: 5-Chloropentan-2-one
CasNumber: 5891-21-4
MolecularFormula: C5H9ClO
MolecularWeight: 120.5774
MdlNumber: MFCD00001008
Smiles: ClCCCC(=O)C
Complexity: 61.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 7
HydrogenBondAcceptorCount: 1
RotatableBondCount: 3
Xlogp3: 0.8
CatalogNumber:
AB45274
ChemicalName:
5-Chloropentan-2-one
CasNumber:
5891-21-4
MolecularFormula:
C5H9ClO
MolecularWeight:
120.5774
MdlNumber:
MFCD00001008
Smiles:
ClCCCC(=O)C
Complexity:
61.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
7
HydrogenBondAcceptorCount:
1
RotatableBondCount:
3
Xlogp3:
0.8
CatalogNumber: AB45275
ChemicalName: 5-Chloro-3-cyanopyridine
CasNumber: 51269-82-0
MolecularFormula: C6H3ClN2
MolecularWeight: 138.5544
MdlNumber: MFCD03411334
Smiles: Clc1cc(cnc1)C#N
Complexity: 137
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
AB45275
ChemicalName:
5-Chloro-3-cyanopyridine
CasNumber:
51269-82-0
MolecularFormula:
C6H3ClN2
MolecularWeight:
138.5544
MdlNumber:
MFCD03411334
Smiles:
Clc1cc(cnc1)C#N
Complexity:
137
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(C)nn(c1Cl)c1ccccc1
Complexity: 231
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(C)nn(c1Cl)c1ccccc1
Complexity:
231
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: AB45277
ChemicalName: 5-Chloro-4-methoxypyridin-2-amine
CasNumber: 662117-63-7
MolecularFormula: C6H7ClN2O
MolecularWeight: 158.5856
MdlNumber: MFCD13689017
Smiles: COc1cc(=N)[nH]cc1Cl
Complexity: 112
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB45277
ChemicalName:
5-Chloro-4-methoxypyridin-2-amine
CasNumber:
662117-63-7
MolecularFormula:
C6H7ClN2O
MolecularWeight:
158.5856
MdlNumber:
MFCD13689017
Smiles:
COc1cc(=N)[nH]cc1Cl
Complexity:
112
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.1