AB56599
887035-89-4 | 1-(4-Fluoro-phenyl)-5-methyl-1h-[1,2,3]triazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB56599
ChemicalName
1-(4-Fluoro-phenyl)-5-methyl-1h-[1,2,3]triazole-4-carboxylic acid
CasNumber
887035-89-4
MolecularFormula
C10H8FN3O2
MolecularWeight
221.1878232
MdlNumber
MFCD07397776
Smiles
OC(=O)c1nnn(c1C)c1ccc(cc1)F
Complexity
269
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AB56599
ChemicalName: 1-(4-Fluoro-phenyl)-5-methyl-1h-[1,2,3]triazole-4-carboxylic acid
CasNumber: 887035-89-4
MolecularFormula: C10H8FN3O2
MolecularWeight: 221.1878232
MdlNumber: MFCD07397776
Smiles: OC(=O)c1nnn(c1C)c1ccc(cc1)F
Complexity: 269
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AB56599
ChemicalName:
1-(4-Fluoro-phenyl)-5-methyl-1h-[1,2,3]triazole-4-carboxylic acid
CasNumber:
887035-89-4
MolecularFormula:
C10H8FN3O2
MolecularWeight:
221.1878232
MdlNumber:
MFCD07397776
Smiles:
OC(=O)c1nnn(c1C)c1ccc(cc1)F
Complexity:
269
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cnn(c1C)c1ccc(cc1)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cnn(c1C)c1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB56601
ChemicalName: 4'-Fluorobutyrophenone
CasNumber: 582-83-2
MolecularFormula: C10H11FO
MolecularWeight: 166.1921
MdlNumber: MFCD00017967
Smiles: CCCC(=O)c1ccc(cc1)F
Complexity: 148
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB56601
ChemicalName:
4'-Fluorobutyrophenone
CasNumber:
582-83-2
MolecularFormula:
C10H11FO
MolecularWeight:
166.1921
MdlNumber:
MFCD00017967
Smiles:
CCCC(=O)c1ccc(cc1)F
Complexity:
148
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AB56602
ChemicalName: 1-(4-Fluorophenyl)cyclopropanecarboxylic acid
CasNumber: 773100-29-1
MolecularFormula: C10H9FO2
MolecularWeight: 180.1757
MdlNumber: MFCD06208777
Smiles: OC(=O)C1(CC1)c1ccc(cc1)F
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AB56602
ChemicalName:
1-(4-Fluorophenyl)cyclopropanecarboxylic acid
CasNumber:
773100-29-1
MolecularFormula:
C10H9FO2
MolecularWeight:
180.1757
MdlNumber:
MFCD06208777
Smiles:
OC(=O)C1(CC1)c1ccc(cc1)F
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8