AB43120
7567-63-7 | 1,3,5-Triethynylbenzene
Manufacturer: A2B Chem
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CatalogNumber
AB43120
ChemicalName
1,3,5-Triethynylbenzene
CasNumber
7567-63-7
MolecularFormula
C12H6
MolecularWeight
150.176
MdlNumber
MFCD00068621
Smiles
C#Cc1cc(C#C)cc(c1)C#C
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
12
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AB43120
ChemicalName: 1,3,5-Triethynylbenzene
CasNumber: 7567-63-7
MolecularFormula: C12H6
MolecularWeight: 150.176
MdlNumber: MFCD00068621
Smiles: C#Cc1cc(C#C)cc(c1)C#C
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AB43120
ChemicalName:
1,3,5-Triethynylbenzene
CasNumber:
7567-63-7
MolecularFormula:
C12H6
MolecularWeight:
150.176
MdlNumber:
MFCD00068621
Smiles:
C#Cc1cc(C#C)cc(c1)C#C
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: AB43121
ChemicalName: 1,3,5-Trifluoro-2,4,6-triiodobenzene
CasNumber: 84322-56-5
MolecularFormula: C6F3I3
MolecularWeight: 509.7728
MdlNumber: MFCD06248899
Smiles: Fc1c(I)c(F)c(c(c1I)F)I
Complexity: 122
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
AB43121
ChemicalName:
1,3,5-Trifluoro-2,4,6-triiodobenzene
CasNumber:
84322-56-5
MolecularFormula:
C6F3I3
MolecularWeight:
509.7728
MdlNumber:
MFCD06248899
Smiles:
Fc1c(I)c(F)c(c(c1I)F)I
Complexity:
122
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)N)c1ccc(cc1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1ccc(cc1)c1cc(cc(c1)c1ccc(cc1)N)c1ccc(cc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB43123
ChemicalName: 1,3-Acetonedicarboxylic acid
CasNumber: 542-05-2
MolecularFormula: C5H6O5
MolecularWeight: 146.0981
MdlNumber: MFCD00002711
Smiles: O=C(CC(=O)O)CC(=O)O
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
RotatableBondCount: 4
Xlogp3: -0.7
CatalogNumber:
AB43123
ChemicalName:
1,3-Acetonedicarboxylic acid
CasNumber:
542-05-2
MolecularFormula:
C5H6O5
MolecularWeight:
146.0981
MdlNumber:
MFCD00002711
Smiles:
O=C(CC(=O)O)CC(=O)O
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
RotatableBondCount:
4
Xlogp3:
-0.7