AA49002
1365271-83-5 | 3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA49002
ChemicalName
3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
CasNumber
1365271-83-5
MolecularFormula
C12H7F2NO2
MolecularWeight
235.1863
MdlNumber
MFCD21609725
Smiles
Fc1cc(cc(c1)c1ncccc1F)C(=O)O
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AA49002
ChemicalName: 3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
CasNumber: 1365271-83-5
MolecularFormula: C12H7F2NO2
MolecularWeight: 235.1863
MdlNumber: MFCD21609725
Smiles: Fc1cc(cc(c1)c1ncccc1F)C(=O)O
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AA49002
ChemicalName:
3-Fluoro-5-(3-fluoropyridin-2-yl)benzoic acid
CasNumber:
1365271-83-5
MolecularFormula:
C12H7F2NO2
MolecularWeight:
235.1863
MdlNumber:
MFCD21609725
Smiles:
Fc1cc(cc(c1)c1ncccc1F)C(=O)O
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cccc(c1CNc1ccccc1)Br
Complexity: 206
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cccc(c1CNc1ccccc1)Br
Complexity:
206
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AA49004
ChemicalName: 1,3-Dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
CasNumber: 1365271-81-3
MolecularFormula: C11H9BrN2O4
MolecularWeight: 313.1042
MdlNumber: MFCD21609704
Smiles: COC(=O)C(c1ncc(cc1C#N)Br)C(=O)OC
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AA49004
ChemicalName:
1,3-Dimethyl 2-(5-bromo-3-cyanopyridin-2-yl)propanedioate
CasNumber:
1365271-81-3
MolecularFormula:
C11H9BrN2O4
MolecularWeight:
313.1042
MdlNumber:
MFCD21609704
Smiles:
COC(=O)C(c1ncc(cc1C#N)Br)C(=O)OC
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrC1=CCC(=C(C)C)CC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrC1=CCC(=C(C)C)CC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__