AE04138
7712-28-9 | 3-(3-Oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AE04138
ChemicalName
3-(3-Oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid
CasNumber
7712-28-9
MolecularFormula
C11H10N2O3
MolecularWeight
218.2087
MdlNumber
MFCD01820403
Smiles
OC(=O)CCc1nc2ccccc2[nH]c1=O
Complexity
338
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.1
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CatalogNumber: AE04138
ChemicalName: 3-(3-Oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid
CasNumber: 7712-28-9
MolecularFormula: C11H10N2O3
MolecularWeight: 218.2087
MdlNumber: MFCD01820403
Smiles: OC(=O)CCc1nc2ccccc2[nH]c1=O
Complexity: 338
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.1
CatalogNumber:
AE04138
ChemicalName:
3-(3-Oxo-3,4-dihydro-quinoxalin-2-yl)-propionic acid
CasNumber:
7712-28-9
MolecularFormula:
C11H10N2O3
MolecularWeight:
218.2087
MdlNumber:
MFCD01820403
Smiles:
OC(=O)CCc1nc2ccccc2[nH]c1=O
Complexity:
338
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#C/C=C/c1ccc(cc1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#C/C=C/c1ccc(cc1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE04141
ChemicalName: 2-Chloro-6-fluoroquinoline
CasNumber: 77119-53-0
MolecularFormula: C9H5ClFN
MolecularWeight: 181.5941
MdlNumber: MFCD08236768
Smiles: Fc1ccc2c(c1)ccc(n2)Cl
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AE04141
ChemicalName:
2-Chloro-6-fluoroquinoline
CasNumber:
77119-53-0
MolecularFormula:
C9H5ClFN
MolecularWeight:
181.5941
MdlNumber:
MFCD08236768
Smiles:
Fc1ccc2c(c1)ccc(n2)Cl
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CC[C@@H](c1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CC[C@@H](c1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__