AA95894
1806-26-4 | 4-N-Octylphenol
Manufacturer: A2B Chem
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CatalogNumber
AA95894
ChemicalName
4-N-Octylphenol
CasNumber
1806-26-4
MolecularFormula
C14H22O
MolecularWeight
206.3239
MdlNumber
MFCD00036134
Smiles
CCCCCCCCc1ccc(cc1)O
Complexity
136
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
5.3
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CatalogNumber: AA95894
ChemicalName: 4-N-Octylphenol
CasNumber: 1806-26-4
MolecularFormula: C14H22O
MolecularWeight: 206.3239
MdlNumber: MFCD00036134
Smiles: CCCCCCCCc1ccc(cc1)O
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 5.3
CatalogNumber:
AA95894
ChemicalName:
4-N-Octylphenol
CasNumber:
1806-26-4
MolecularFormula:
C14H22O
MolecularWeight:
206.3239
MdlNumber:
MFCD00036134
Smiles:
CCCCCCCCc1ccc(cc1)O
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
5.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccc2-c3c(Cc2c1)cc(cc3)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA95897
ChemicalName: 2-Chloro-4'-fluorobenzophenone
CasNumber: 1806-23-1
MolecularFormula: C13H8ClFO
MolecularWeight: 234.6534
MdlNumber: MFCD00000559
Smiles: Fc1ccc(cc1)C(=O)c1ccccc1Cl
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.8
CatalogNumber:
AA95897
ChemicalName:
2-Chloro-4'-fluorobenzophenone
CasNumber:
1806-23-1
MolecularFormula:
C13H8ClFO
MolecularWeight:
234.6534
MdlNumber:
MFCD00000559
Smiles:
Fc1ccc(cc1)C(=O)c1ccccc1Cl
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cnc(c(c1)C(=O)N)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cnc(c(c1)C(=O)N)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__