AB73960
16867-56-4 | Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB73960
ChemicalName
Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate
CasNumber
16867-56-4
MolecularFormula
C11H9BrN2O3
MolecularWeight
297.1048
MdlNumber
MFCD12546518
Smiles
CCOC(=O)c1cnc2n(c1=O)cc(cc2)Br
Complexity
503
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AB73960
ChemicalName: Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate
CasNumber: 16867-56-4
MolecularFormula: C11H9BrN2O3
MolecularWeight: 297.1048
MdlNumber: MFCD12546518
Smiles: CCOC(=O)c1cnc2n(c1=O)cc(cc2)Br
Complexity: 503
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB73960
ChemicalName:
Ethyl 7-bromo-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate
CasNumber:
16867-56-4
MolecularFormula:
C11H9BrN2O3
MolecularWeight:
297.1048
MdlNumber:
MFCD12546518
Smiles:
CCOC(=O)c1cnc2n(c1=O)cc(cc2)Br
Complexity:
503
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: AB73961
ChemicalName: Ethyl 7-bromoheptanoate
CasNumber: 29823-18-5
MolecularFormula: C9H17BrO2
MolecularWeight: 237.1341
MdlNumber: MFCD00037103
Smiles: BrCCCCCCC(=O)OCC
Complexity: 115
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 8
Xlogp3: 2.8
CatalogNumber:
AB73961
ChemicalName:
Ethyl 7-bromoheptanoate
CasNumber:
29823-18-5
MolecularFormula:
C9H17BrO2
MolecularWeight:
237.1341
MdlNumber:
MFCD00037103
Smiles:
BrCCCCCCC(=O)OCC
Complexity:
115
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
8
Xlogp3:
2.8
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Smiles: ClCCCCCC(=O)C(=O)OCC
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Smiles:
ClCCCCCC(=O)C(=O)OCC
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Smiles: CCOC(=O)c1cc2c(o1)c(OC)ccc2
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MolecularFormula:
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Smiles:
CCOC(=O)c1cc2c(o1)c(OC)ccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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