AD26876
1345471-31-9 | 5-(2-Cyanophenyl)-2-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD26876
ChemicalName
5-(2-Cyanophenyl)-2-fluorobenzoic acid
CasNumber
1345471-31-9
MolecularFormula
C14H8FNO2
MolecularWeight
241.2172
MdlNumber
MFCD20441867
Smiles
N#Cc1ccccc1c1ccc(c(c1)C(=O)O)F
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AD26876
ChemicalName: 5-(2-Cyanophenyl)-2-fluorobenzoic acid
CasNumber: 1345471-31-9
MolecularFormula: C14H8FNO2
MolecularWeight: 241.2172
MdlNumber: MFCD20441867
Smiles: N#Cc1ccccc1c1ccc(c(c1)C(=O)O)F
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AD26876
ChemicalName:
5-(2-Cyanophenyl)-2-fluorobenzoic acid
CasNumber:
1345471-31-9
MolecularFormula:
C14H8FNO2
MolecularWeight:
241.2172
MdlNumber:
MFCD20441867
Smiles:
N#Cc1ccccc1c1ccc(c(c1)C(=O)O)F
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AD26877
ChemicalName: 1-Bromo-3-(propane-2-sulfinyl)benzene
CasNumber: 1345471-26-2
MolecularFormula: C9H11BrOS
MolecularWeight: 247.152
MdlNumber: MFCD20441853
Smiles: Brc1cccc(c1)S(=O)C(C)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AD26877
ChemicalName:
1-Bromo-3-(propane-2-sulfinyl)benzene
CasNumber:
1345471-26-2
MolecularFormula:
C9H11BrOS
MolecularWeight:
247.152
MdlNumber:
MFCD20441853
Smiles:
Brc1cccc(c1)S(=O)C(C)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cnoc1C(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cnoc1C(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCc1oncc1C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCc1oncc1C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__