AI63843
950514-14-4 | Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI63843
ChemicalName
Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate
CasNumber
950514-14-4
MolecularFormula
C6H6N2O3
MolecularWeight
154.12344
MdlNumber
MFCD21608027
Smiles
COC(=O)c1ccnc(=O)[nH]1
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
-0.6
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CatalogNumber: AI63843
ChemicalName: Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate
CasNumber: 950514-14-4
MolecularFormula: C6H6N2O3
MolecularWeight: 154.12344
MdlNumber: MFCD21608027
Smiles: COC(=O)c1ccnc(=O)[nH]1
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: -0.6
CatalogNumber:
AI63843
ChemicalName:
Methyl 2-oxo-1,2-dihydropyrimidine-4-carboxylate
CasNumber:
950514-14-4
MolecularFormula:
C6H6N2O3
MolecularWeight:
154.12344
MdlNumber:
MFCD21608027
Smiles:
COC(=O)c1ccnc(=O)[nH]1
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
-0.6
CatalogNumber: AI63844
ChemicalName: 6-Bromo-7-fluoroquinazolin-4-ol
CasNumber: 950577-02-3
MolecularFormula: C8H4BrFN2O
MolecularWeight: 243.0326
MdlNumber: MFCD09907649
Smiles: Brc1cc2c(cc1F)ncnc2O
Complexity: 259
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AI63844
ChemicalName:
6-Bromo-7-fluoroquinazolin-4-ol
CasNumber:
950577-02-3
MolecularFormula:
C8H4BrFN2O
MolecularWeight:
243.0326
MdlNumber:
MFCD09907649
Smiles:
Brc1cc2c(cc1F)ncnc2O
Complexity:
259
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2nc[nH]c(=O)c2cc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2nc[nH]c(=O)c2cc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCc1cccc(c1C)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCc1cccc(c1C)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__