AI45444
228728-06-1 | Ethyl 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI45444
ChemicalName
Ethyl 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylate
CasNumber
228728-06-1
MolecularFormula
C12H9BrFNO3
MolecularWeight
314.1071631999999
MdlNumber
MFCD25572662
Smiles
CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2F)Br
Complexity
399
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.8
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CatalogNumber: AI45444
ChemicalName: Ethyl 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylate
CasNumber: 228728-06-1
MolecularFormula: C12H9BrFNO3
MolecularWeight: 314.1071631999999
MdlNumber: MFCD25572662
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2F)Br
Complexity: 399
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.8
CatalogNumber:
AI45444
ChemicalName:
Ethyl 6-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylate
CasNumber:
228728-06-1
MolecularFormula:
C12H9BrFNO3
MolecularWeight:
314.1071631999999
MdlNumber:
MFCD25572662
Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2F)Br
Complexity:
399
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1c[nH]c2c(c1=O)cc(cc2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(Cc1cccc(c1)[N+](=O)[O-])N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(Cc1cccc(c1)[N+](=O)[O-])N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
CatalogNumber: AI45447
ChemicalName: (2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
CasNumber: 22888-70-6
MolecularFormula: C25H22O10
MolecularWeight: 482.4362
MdlNumber: MFCD00872186
Smiles: OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
Complexity: 750
Covalently-bondedUnitCount: 1
HeavyAtomCount: 35
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 5
RotatableBondCount: 4
Xlogp3: 2.4
CatalogNumber:
AI45447
ChemicalName:
(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-3,4-dihydro-2H-1-benzopyran-4-one
CasNumber:
22888-70-6
MolecularFormula:
C25H22O10
MolecularWeight:
482.4362
MdlNumber:
MFCD00872186
Smiles:
OC[C@H]1Oc2ccc(cc2O[C@@H]1c1ccc(c(c1)OC)O)[C@H]1Oc2cc(O)cc(c2C(=O)[C@@H]1O)O
Complexity:
750
Covalently-bondedUnitCount:
1
HeavyAtomCount:
35
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
5
RotatableBondCount:
4
Xlogp3:
2.4