AI63742
948594-79-4 | tert-Butyl methyl 2-(5-bromopyrimidin-2-yl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AI63742
ChemicalName
tert-Butyl methyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber
948594-79-4
MolecularFormula
C12H15BrN2O4
MolecularWeight
331.1625
MdlNumber
MFCD25509425
Smiles
COC(=O)C(C(=O)OC(C)(C)C)c1ncc(cn1)Br
Complexity
335
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
RotatableBondCount
6
UndefinedAtomStereocenterCount
1
Xlogp3
1.8
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CatalogNumber: AI63742
ChemicalName: tert-Butyl methyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber: 948594-79-4
MolecularFormula: C12H15BrN2O4
MolecularWeight: 331.1625
MdlNumber: MFCD25509425
Smiles: COC(=O)C(C(=O)OC(C)(C)C)c1ncc(cn1)Br
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
RotatableBondCount: 6
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.8
CatalogNumber:
AI63742
ChemicalName:
tert-Butyl methyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber:
948594-79-4
MolecularFormula:
C12H15BrN2O4
MolecularWeight:
331.1625
MdlNumber:
MFCD25509425
Smiles:
COC(=O)C(C(=O)OC(C)(C)C)c1ncc(cn1)Br
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
RotatableBondCount:
6
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.8
CatalogNumber: AI63743
ChemicalName: Methyl 2-(5-bromopyrimidin-2-yl)acetate
CasNumber: 948594-80-7
MolecularFormula: C7H7BrN2O2
MolecularWeight: 231.0467
MdlNumber: MFCD16987768
Smiles: COC(=O)Cc1ncc(cn1)Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: __
Xlogp3: 0.7
CatalogNumber:
AI63743
ChemicalName:
Methyl 2-(5-bromopyrimidin-2-yl)acetate
CasNumber:
948594-80-7
MolecularFormula:
C7H7BrN2O2
MolecularWeight:
231.0467
MdlNumber:
MFCD16987768
Smiles:
COC(=O)Cc1ncc(cn1)Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)Cc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)Cc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC1(C)CC2(C)C=C(C1C=C2CC(C)C)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC1(C)CC2(C)C=C(C1C=C2CC(C)C)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__