AB44981
63697-96-1 | 4-Ethynylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB44981
ChemicalName
4-Ethynylbenzaldehyde
CasNumber
63697-96-1
MolecularFormula
C9H6O
MolecularWeight
130.1433
MdlNumber
MFCD05664348
Smiles
O=Cc1ccc(cc1)C#C
Complexity
155
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AB44981
ChemicalName: 4-Ethynylbenzaldehyde
CasNumber: 63697-96-1
MolecularFormula: C9H6O
MolecularWeight: 130.1433
MdlNumber: MFCD05664348
Smiles: O=Cc1ccc(cc1)C#C
Complexity: 155
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AB44981
ChemicalName:
4-Ethynylbenzaldehyde
CasNumber:
63697-96-1
MolecularFormula:
C9H6O
MolecularWeight:
130.1433
MdlNumber:
MFCD05664348
Smiles:
O=Cc1ccc(cc1)C#C
Complexity:
155
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
1.6
CatalogNumber: AB44982
ChemicalName: 4-Ethynylpyridine, HCl
CasNumber: 352530-29-1
MolecularFormula: C7H6ClN
MolecularWeight: 139.5822
MdlNumber: MFCD03093912
Smiles: C#Cc1ccncc1.Cl
Complexity: 103
Covalently-bondedUnitCount: 2
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB44982
ChemicalName:
4-Ethynylpyridine, HCl
CasNumber:
352530-29-1
MolecularFormula:
C7H6ClN
MolecularWeight:
139.5822
MdlNumber:
MFCD03093912
Smiles:
C#Cc1ccncc1.Cl
Complexity:
103
Covalently-bondedUnitCount:
2
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB44983
ChemicalName: 4'-Trifluoromethylphenyl acetylene
CasNumber: 705-31-7
MolecularFormula: C9H5F3
MolecularWeight: 170.1312
MdlNumber: MFCD01861903
Smiles: C#Cc1ccc(cc1)C(F)(F)F
Complexity: 188
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AB44983
ChemicalName:
4'-Trifluoromethylphenyl acetylene
CasNumber:
705-31-7
MolecularFormula:
C9H5F3
MolecularWeight:
170.1312
MdlNumber:
MFCD01861903
Smiles:
C#Cc1ccc(cc1)C(F)(F)F
Complexity:
188
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AB44984
ChemicalName: 4-Fluororesorcinol
CasNumber: 103068-41-3
MolecularFormula: C6H5FO2
MolecularWeight: 128.1011
MdlNumber: MFCD03789074
Smiles: Oc1ccc(c(c1)O)F
Complexity: 97.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 1.4
CatalogNumber:
AB44984
ChemicalName:
4-Fluororesorcinol
CasNumber:
103068-41-3
MolecularFormula:
C6H5FO2
MolecularWeight:
128.1011
MdlNumber:
MFCD03789074
Smiles:
Oc1ccc(c(c1)O)F
Complexity:
97.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
1.4