AB62099
1945-84-2 | 2-Ethynylpyridine
Manufacturer: A2B Chem
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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
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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1ccc2-c3c(Cc2c1)cccc3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1ccc2-c3c(Cc2c1)cccc3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__