AD25767
455-75-4 | Ethyl 3-amino-4-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AD25767
ChemicalName
Ethyl 3-amino-4-fluorobenzoate
CasNumber
455-75-4
MolecularFormula
C9H10FNO2
MolecularWeight
183.1796
MdlNumber
MFCD03840487
Smiles
CCOC(=O)c1ccc(c(c1)N)F
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AD25767
ChemicalName: Ethyl 3-amino-4-fluorobenzoate
CasNumber: 455-75-4
MolecularFormula: C9H10FNO2
MolecularWeight: 183.1796
MdlNumber: MFCD03840487
Smiles: CCOC(=O)c1ccc(c(c1)N)F
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AD25767
ChemicalName:
Ethyl 3-amino-4-fluorobenzoate
CasNumber:
455-75-4
MolecularFormula:
C9H10FNO2
MolecularWeight:
183.1796
MdlNumber:
MFCD03840487
Smiles:
CCOC(=O)c1ccc(c(c1)N)F
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AD25768
ChemicalName: Methyl 5-fluoronicotinate
CasNumber: 455-70-9
MolecularFormula: C7H6FNO2
MolecularWeight: 155.1264
MdlNumber: MFCD01692049
Smiles: COC(=O)c1cncc(c1)F
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AD25768
ChemicalName:
Methyl 5-fluoronicotinate
CasNumber:
455-70-9
MolecularFormula:
C7H6FNO2
MolecularWeight:
155.1264
MdlNumber:
MFCD01692049
Smiles:
COC(=O)c1cncc(c1)F
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC(=O)SCC[N+](C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC(=O)SCC[N+](C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCn1cc[n+](c1C)C.[Cl-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCn1cc[n+](c1C)C.[Cl-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__