AF58823
367-80-6 | Ethyl 4-fluoro-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF58823
ChemicalName
Ethyl 4-fluoro-3-nitrobenzoate
CasNumber
367-80-6
MolecularFormula
C9H8FNO4
MolecularWeight
213.1625
MdlNumber
MFCD03428515
Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])F
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AF58823
ChemicalName: Ethyl 4-fluoro-3-nitrobenzoate
CasNumber: 367-80-6
MolecularFormula: C9H8FNO4
MolecularWeight: 213.1625
MdlNumber: MFCD03428515
Smiles: CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])F
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AF58823
ChemicalName:
Ethyl 4-fluoro-3-nitrobenzoate
CasNumber:
367-80-6
MolecularFormula:
C9H8FNO4
MolecularWeight:
213.1625
MdlNumber:
MFCD03428515
Smiles:
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])F
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)C=CC(=O)c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)C=CC(=O)c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1=CC(=O)OC(C1)CCC2=CC3=C(C=C2)OCO3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AF58826
ChemicalName: Benzyl (3-oxocyclohexyl)carbamate
CasNumber: 320590-29-2
MolecularFormula: C14H17NO3
MolecularWeight: 247.2897
MdlNumber: MFCD08061944
Smiles: O=C1CCCC(C1)NC(=O)OCc1ccccc1
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AF58826
ChemicalName:
Benzyl (3-oxocyclohexyl)carbamate
CasNumber:
320590-29-2
MolecularFormula:
C14H17NO3
MolecularWeight:
247.2897
MdlNumber:
MFCD08061944
Smiles:
O=C1CCCC(C1)NC(=O)OCc1ccccc1
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
1.7