AB62098
38846-64-9 | 2-Ethynylbenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB62098
ChemicalName
2-Ethynylbenzaldehyde
CasNumber
38846-64-9
MolecularFormula
C9H6O
MolecularWeight
130.14334
MdlNumber
MFCD04039985
Smiles
C#Cc1ccccc1C=O
Complexity
163
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
1
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AB62098
ChemicalName: 2-Ethynylbenzaldehyde
CasNumber: 38846-64-9
MolecularFormula: C9H6O
MolecularWeight: 130.14334
MdlNumber: MFCD04039985
Smiles: C#Cc1ccccc1C=O
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AB62098
ChemicalName:
2-Ethynylbenzaldehyde
CasNumber:
38846-64-9
MolecularFormula:
C9H6O
MolecularWeight:
130.14334
MdlNumber:
MFCD04039985
Smiles:
C#Cc1ccccc1C=O
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: AB62099
ChemicalName: 2-Ethynylpyridine
CasNumber: 1945-84-2
MolecularFormula: C7H5N
MolecularWeight: 103.1213
MdlNumber: MFCD00041598
Smiles: C#Cc1ccccn1
Complexity: 109
Covalently-bondedUnitCount: 1
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB62099
ChemicalName:
2-Ethynylpyridine
CasNumber:
1945-84-2
MolecularFormula:
C7H5N
MolecularWeight:
103.1213
MdlNumber:
MFCD00041598
Smiles:
C#Cc1ccccn1
Complexity:
109
Covalently-bondedUnitCount:
1
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: AB62100
ChemicalName: 2'-Trifluoromethylphenyl acetylene
CasNumber: 704-41-6
MolecularFormula: C9H5F3
MolecularWeight: 170.1312
MdlNumber: MFCD00467313
Smiles: C#Cc1ccccc1C(F)(F)F
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB62100
ChemicalName:
2'-Trifluoromethylphenyl acetylene
CasNumber:
704-41-6
MolecularFormula:
C9H5F3
MolecularWeight:
170.1312
MdlNumber:
MFCD00467313
Smiles:
C#Cc1ccccc1C(F)(F)F
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: AB62101
ChemicalName: 2-Fluoro-5-nitrobenzotrifluoride
CasNumber: 400-74-8
MolecularFormula: C7H3F4NO2
MolecularWeight: 209.0978
MdlNumber: MFCD00024576
Smiles: [O-][N+](=O)c1ccc(c(c1)C(F)(F)F)F
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
AB62101
ChemicalName:
2-Fluoro-5-nitrobenzotrifluoride
CasNumber:
400-74-8
MolecularFormula:
C7H3F4NO2
MolecularWeight:
209.0978
MdlNumber:
MFCD00024576
Smiles:
[O-][N+](=O)c1ccc(c(c1)C(F)(F)F)F
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
__
Xlogp3:
2.7