AB52438
647-42-7 | 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol
Manufacturer: A2B Chem
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CatalogNumber
AB52438
ChemicalName
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol
CasNumber
647-42-7
MolecularFormula
C8H5F13O
MolecularWeight
364.1039
MdlNumber
MFCD00042143
Smiles
OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity
395
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
14
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
4.4
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CatalogNumber: AB52438
ChemicalName: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol
CasNumber: 647-42-7
MolecularFormula: C8H5F13O
MolecularWeight: 364.1039
MdlNumber: MFCD00042143
Smiles: OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity: 395
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 14
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 4.4
CatalogNumber:
AB52438
ChemicalName:
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol
CasNumber:
647-42-7
MolecularFormula:
C8H5F13O
MolecularWeight:
364.1039
MdlNumber:
MFCD00042143
Smiles:
OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Complexity:
395
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
14
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@@H](C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@@H](C(C)C)Nc1nc(Nc2ccc(c(c2)Cl)C(=O)O)c2c(n1)n(cn2)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB52440
ChemicalName: Methyl tetrahydrofuran-3-carboxylate
CasNumber: 53662-85-4
MolecularFormula: C6H10O3
MolecularWeight: 130.1418
MdlNumber: MFCD06203928
Smiles: COC(=O)C1COCC1
Complexity: 111
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.1
CatalogNumber:
AB52440
ChemicalName:
Methyl tetrahydrofuran-3-carboxylate
CasNumber:
53662-85-4
MolecularFormula:
C6H10O3
MolecularWeight:
130.1418
MdlNumber:
MFCD06203928
Smiles:
COC(=O)C1COCC1
Complexity:
111
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.1
CatalogNumber: AB52441
ChemicalName: 3-Chloro-5-formylbenzonitrile
CasNumber: 1205513-88-7
MolecularFormula: C8H4ClNO
MolecularWeight: 165.5765
MdlNumber: MFCD18392412
Smiles: O=Cc1cc(C#N)cc(c1)Cl
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB52441
ChemicalName:
3-Chloro-5-formylbenzonitrile
CasNumber:
1205513-88-7
MolecularFormula:
C8H4ClNO
MolecularWeight:
165.5765
MdlNumber:
MFCD18392412
Smiles:
O=Cc1cc(C#N)cc(c1)Cl
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
1.7