AC22389
85070-58-2 | Methyl 2-fluoro-4-formylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC22389
ChemicalName
Methyl 2-fluoro-4-formylbenzoate
CasNumber
85070-58-2
MolecularFormula
C9H7FO3
MolecularWeight
182.1484832
MdlNumber
MFCD20231454
Smiles
COC(=O)c1ccc(cc1F)C=O
Complexity
205
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1.3
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CatalogNumber: AC22389
ChemicalName: Methyl 2-fluoro-4-formylbenzoate
CasNumber: 85070-58-2
MolecularFormula: C9H7FO3
MolecularWeight: 182.1484832
MdlNumber: MFCD20231454
Smiles: COC(=O)c1ccc(cc1F)C=O
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1.3
CatalogNumber:
AC22389
ChemicalName:
Methyl 2-fluoro-4-formylbenzoate
CasNumber:
85070-58-2
MolecularFormula:
C9H7FO3
MolecularWeight:
182.1484832
MdlNumber:
MFCD20231454
Smiles:
COC(=O)c1ccc(cc1F)C=O
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OS(=O)(=O)O.CCN(CC#C)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OS(=O)(=O)O.CCN(CC#C)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sc(nc1C(F)(F)F)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sc(nc1C(F)(F)F)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)Oc1ccc(cc1)C(=C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)Oc1ccc(cc1)C(=C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__