AB72833
22494-42-4 | 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB72833
ChemicalName
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
CasNumber
22494-42-4
MolecularFormula
C13H8F2O3
MolecularWeight
250.19762640000002
MdlNumber
MFCD00057834
Smiles
Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O
NscNumber
756728
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
4.4
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CatalogNumber: AB72833
ChemicalName: 5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
CasNumber: 22494-42-4
MolecularFormula: C13H8F2O3
MolecularWeight: 250.19762640000002
MdlNumber: MFCD00057834
Smiles: Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O
NscNumber: 756728
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 4.4
CatalogNumber:
AB72833
ChemicalName:
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid
CasNumber:
22494-42-4
MolecularFormula:
C13H8F2O3
MolecularWeight:
250.19762640000002
MdlNumber:
MFCD00057834
Smiles:
Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O
NscNumber:
756728
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
4.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(C(=O)O)F
NscNumber: __
Complexity: 60.6
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(C(=O)O)F
NscNumber:
__
Complexity:
60.6
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1OCC(=C1)[C@H]1CC[C@]2([C@]1(C)CC[C@H]1[C@H]2CC[C@H]2[C@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__