AD72629
1352317-82-8 | 3-(2-Cyanophenyl)-5-fluorobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD72629
ChemicalName
3-(2-Cyanophenyl)-5-fluorobenzoic acid
CasNumber
1352317-82-8
MolecularFormula
C14H8FNO2
MolecularWeight
241.2172
MdlNumber
MFCD20529461
Smiles
N#Cc1ccccc1c1cc(F)cc(c1)C(=O)O
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AD72629
ChemicalName: 3-(2-Cyanophenyl)-5-fluorobenzoic acid
CasNumber: 1352317-82-8
MolecularFormula: C14H8FNO2
MolecularWeight: 241.2172
MdlNumber: MFCD20529461
Smiles: N#Cc1ccccc1c1cc(F)cc(c1)C(=O)O
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AD72629
ChemicalName:
3-(2-Cyanophenyl)-5-fluorobenzoic acid
CasNumber:
1352317-82-8
MolecularFormula:
C14H8FNO2
MolecularWeight:
241.2172
MdlNumber:
MFCD20529461
Smiles:
N#Cc1ccccc1c1cc(F)cc(c1)C(=O)O
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AD72630
ChemicalName: Methyl 4-(2-cyanophenyl)-2-fluorobenzoate
CasNumber: 1352317-81-7
MolecularFormula: C15H10FNO2
MolecularWeight: 255.2438
MdlNumber: MFCD20529476
Smiles: COC(=O)c1ccc(cc1F)c1ccccc1C#N
Complexity: 376
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 3.2
CatalogNumber:
AD72630
ChemicalName:
Methyl 4-(2-cyanophenyl)-2-fluorobenzoate
CasNumber:
1352317-81-7
MolecularFormula:
C15H10FNO2
MolecularWeight:
255.2438
MdlNumber:
MFCD20529476
Smiles:
COC(=O)c1ccc(cc1F)c1ccccc1C#N
Complexity:
376
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
3.2
CatalogNumber: AD72631
ChemicalName: 2-Bromo-1-butoxy-4-nitrobenzene
CasNumber: 1352317-77-1
MolecularFormula: C10H12BrNO3
MolecularWeight: 274.1112
MdlNumber: MFCD20529435
Smiles: CCCCOc1ccc(cc1Br)[N+](=O)[O-]
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 4
Xlogp3: 3.7
CatalogNumber:
AD72631
ChemicalName:
2-Bromo-1-butoxy-4-nitrobenzene
CasNumber:
1352317-77-1
MolecularFormula:
C10H12BrNO3
MolecularWeight:
274.1112
MdlNumber:
MFCD20529435
Smiles:
CCCCOc1ccc(cc1Br)[N+](=O)[O-]
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
4
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1CC(C)(C)Cc2c1ccc(n2)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1CC(C)(C)Cc2c1ccc(n2)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__