AB54126
1533-45-5 | 2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole
Manufacturer: A2B Chem
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CatalogNumber
AB54126
ChemicalName
2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole
CasNumber
1533-45-5
MolecularFormula
C28H18N2O2
MolecularWeight
414.4547
MdlNumber
MFCD00022846
Smiles
c1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2
NscNumber
252132
Complexity
583
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
32
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
7.2
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CatalogNumber: AB54126
ChemicalName: 2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole
CasNumber: 1533-45-5
MolecularFormula: C28H18N2O2
MolecularWeight: 414.4547
MdlNumber: MFCD00022846
Smiles: c1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2
NscNumber: 252132
Complexity: 583
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 32
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 7.2
CatalogNumber:
AB54126
ChemicalName:
2,2'-(1,2-Ethenediyldi-4,1-phenylene)bisbenzoxazole
CasNumber:
1533-45-5
MolecularFormula:
C28H18N2O2
MolecularWeight:
414.4547
MdlNumber:
MFCD00022846
Smiles:
c1ccc2c(c1)oc(n2)c1ccc(cc1)C=Cc1ccc(cc1)c1nc2c(o1)cccc2
NscNumber:
252132
Complexity:
583
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
32
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
7.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(COS(=O)(=O)c1ccc(cc1)C)(F)F
NscNumber: __
Complexity: 310
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(COS(=O)(=O)c1ccc(cc1)C)(F)F
NscNumber:
__
Complexity:
310
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.6
CatalogNumber: AB54128
ChemicalName: 2,2,3,3,3-Pentafluoropropylamine
CasNumber: 422-03-7
MolecularFormula: C3H4F5N
MolecularWeight: 149.0626
MdlNumber: MFCD00042459
Smiles: NCC(C(F)(F)F)(F)F
NscNumber: __
Complexity: 94.9
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 6
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AB54128
ChemicalName:
2,2,3,3,3-Pentafluoropropylamine
CasNumber:
422-03-7
MolecularFormula:
C3H4F5N
MolecularWeight:
149.0626
MdlNumber:
MFCD00042459
Smiles:
NCC(C(F)(F)F)(F)F
NscNumber:
__
Complexity:
94.9
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
6
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: AB54129
ChemicalName: 2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
CasNumber: 355-80-6
MolecularFormula: C5H4F8O
MolecularWeight: 232.0719
MdlNumber: MFCD00039631
Smiles: OCC(C(C(C(F)F)(F)F)(F)F)(F)F
NscNumber: 114
Complexity: 200
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: __
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 9
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AB54129
ChemicalName:
2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
CasNumber:
355-80-6
MolecularFormula:
C5H4F8O
MolecularWeight:
232.0719
MdlNumber:
MFCD00039631
Smiles:
OCC(C(C(C(F)F)(F)F)(F)F)(F)F
NscNumber:
114
Complexity:
200
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
__
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
9
RotatableBondCount:
4
Xlogp3:
2.4