AB44980
14235-81-5 | 4-Ethynylaniline
Manufacturer: A2B Chem
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CatalogNumber
AB44980
ChemicalName
4-Ethynylaniline
CasNumber
14235-81-5
MolecularFormula
C8H7N
MolecularWeight
117.1479
MdlNumber
MFCD00168824
Smiles
C#Cc1ccc(cc1)N
Complexity
123
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
1
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.3
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CatalogNumber: AB44980
ChemicalName: 4-Ethynylaniline
CasNumber: 14235-81-5
MolecularFormula: C8H7N
MolecularWeight: 117.1479
MdlNumber: MFCD00168824
Smiles: C#Cc1ccc(cc1)N
Complexity: 123
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AB44980
ChemicalName:
4-Ethynylaniline
CasNumber:
14235-81-5
MolecularFormula:
C8H7N
MolecularWeight:
117.1479
MdlNumber:
MFCD00168824
Smiles:
C#Cc1ccc(cc1)N
Complexity:
123
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.3
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
HydrogenBondDonorCount: __
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
HydrogenBondDonorCount:
__
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
HydrogenBondDonorCount: 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
HydrogenBondDonorCount:
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
HydrogenBondDonorCount: __
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
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.2