AE24951
1090553-79-9 | Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE24951
ChemicalName
Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CasNumber
1090553-79-9
MolecularFormula
C12H13FO2
MolecularWeight
208.2288
MdlNumber
MFCD11810428
Smiles
COC(=O)C1(CCC1)c1ccc(cc1)F
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AE24951
ChemicalName: Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CasNumber: 1090553-79-9
MolecularFormula: C12H13FO2
MolecularWeight: 208.2288
MdlNumber: MFCD11810428
Smiles: COC(=O)C1(CCC1)c1ccc(cc1)F
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AE24951
ChemicalName:
Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate
CasNumber:
1090553-79-9
MolecularFormula:
C12H13FO2
MolecularWeight:
208.2288
MdlNumber:
MFCD11810428
Smiles:
COC(=O)C1(CCC1)c1ccc(cc1)F
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: AE24952
ChemicalName: 6-[Benzo(b)thiophen-2-yl]-2-hydroxypyridine
CasNumber: 1111105-57-7
MolecularFormula: C13H9NOS
MolecularWeight: 227.2817
MdlNumber: MFCD11876406
Smiles: Oc1cccc(n1)c1cc2c(s1)cccc2
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AE24952
ChemicalName:
6-[Benzo(b)thiophen-2-yl]-2-hydroxypyridine
CasNumber:
1111105-57-7
MolecularFormula:
C13H9NOS
MolecularWeight:
227.2817
MdlNumber:
MFCD11876406
Smiles:
Oc1cccc(n1)c1cc2c(s1)cccc2
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
2.9
CatalogNumber: AE24953
ChemicalName: (2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid
CasNumber: 1099670-06-0
MolecularFormula: C10H5BrFNO2
MolecularWeight: 270.0546
MdlNumber: MFCD11651131
Smiles: N#CC(=Cc1ccc(cc1F)Br)C(=O)O
Complexity: 334
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AE24953
ChemicalName:
(2E)-3-(4-Bromo-2-fluorophenyl)-2-cyanoprop-2-enoic acid
CasNumber:
1099670-06-0
MolecularFormula:
C10H5BrFNO2
MolecularWeight:
270.0546
MdlNumber:
MFCD11651131
Smiles:
N#CC(=Cc1ccc(cc1F)Br)C(=O)O
Complexity:
334
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.6
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Smiles: OC(=O)c1cc(ccc1F)c1ccc(cc1)OC(F)(F)F
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Smiles:
OC(=O)c1cc(ccc1F)c1ccc(cc1)OC(F)(F)F
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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