AB57610
40624-07-5 | 1,7-Dichloroheptan-4-one
Manufacturer: A2B Chem
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CatalogNumber
AB57610
ChemicalName
1,7-Dichloroheptan-4-one
CasNumber
40624-07-5
MolecularFormula
C7H12Cl2O
MolecularWeight
183.0756
MdlNumber
MFCD00019001
Smiles
ClCCCC(=O)CCCCl
NscNumber
60201
Complexity
83.6
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
6
Xlogp3
1.7
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CatalogNumber: AB57610
ChemicalName: 1,7-Dichloroheptan-4-one
CasNumber: 40624-07-5
MolecularFormula: C7H12Cl2O
MolecularWeight: 183.0756
MdlNumber: MFCD00019001
Smiles: ClCCCC(=O)CCCCl
NscNumber: 60201
Complexity: 83.6
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 6
Xlogp3: 1.7
CatalogNumber:
AB57610
ChemicalName:
1,7-Dichloroheptan-4-one
CasNumber:
40624-07-5
MolecularFormula:
C7H12Cl2O
MolecularWeight:
183.0756
MdlNumber:
MFCD00019001
Smiles:
ClCCCC(=O)CCCCl
NscNumber:
60201
Complexity:
83.6
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
6
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc2c(c1)c(OC)ccc2
NscNumber: __
Complexity: 181
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc2c(c1)c(OC)ccc2
NscNumber:
__
Complexity:
181
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc2c(c1)c(C)ccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc2c(c1)c(C)ccc2
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB57613
ChemicalName: 1,7-Heptanediol
CasNumber: 629-30-1
MolecularFormula: C7H16O2
MolecularWeight: 132.2007
MdlNumber: MFCD00002987
Smiles: OCCCCCCCO
NscNumber: 3821
Complexity: 40.2
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 6
Xlogp3: 0.8
CatalogNumber:
AB57613
ChemicalName:
1,7-Heptanediol
CasNumber:
629-30-1
MolecularFormula:
C7H16O2
MolecularWeight:
132.2007
MdlNumber:
MFCD00002987
Smiles:
OCCCCCCCO
NscNumber:
3821
Complexity:
40.2
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
6
Xlogp3:
0.8