AA45037
1291487-28-9 | Dimethyl 2-(5-bromopyrimidin-2-yl)malonate
Manufacturer: A2B Chem
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CatalogNumber
AA45037
ChemicalName
Dimethyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber
1291487-28-9
MolecularFormula
C9H9BrN2O4
MolecularWeight
289.0828
MdlNumber
MFCD18837634
Smiles
COC(=O)C(c1ncc(cn1)Br)C(=O)OC
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
5
Xlogp3
0.8
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CatalogNumber: AA45037
ChemicalName: Dimethyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber: 1291487-28-9
MolecularFormula: C9H9BrN2O4
MolecularWeight: 289.0828
MdlNumber: MFCD18837634
Smiles: COC(=O)C(c1ncc(cn1)Br)C(=O)OC
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 5
Xlogp3: 0.8
CatalogNumber:
AA45037
ChemicalName:
Dimethyl 2-(5-bromopyrimidin-2-yl)malonate
CasNumber:
1291487-28-9
MolecularFormula:
C9H9BrN2O4
MolecularWeight:
289.0828
MdlNumber:
MFCD18837634
Smiles:
COC(=O)C(c1ncc(cn1)Br)C(=O)OC
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
5
Xlogp3:
0.8
CatalogNumber: AA45038
ChemicalName: 2-Acetamido-6-trifluoromethylpyridine
CasNumber: 1291487-27-8
MolecularFormula: C8H7F3N2O
MolecularWeight: 204.1492
MdlNumber: MFCD13195265
Smiles: CC(=O)Nc1cccc(n1)C(F)(F)F
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 1.3
CatalogNumber:
AA45038
ChemicalName:
2-Acetamido-6-trifluoromethylpyridine
CasNumber:
1291487-27-8
MolecularFormula:
C8H7F3N2O
MolecularWeight:
204.1492
MdlNumber:
MFCD13195265
Smiles:
CC(=O)Nc1cccc(n1)C(F)(F)F
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
1.3
CatalogNumber: AA45039
ChemicalName: 5-Bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CasNumber: 1291487-26-7
MolecularFormula: C8H3BrF4O
MolecularWeight: 271.0064327999999
MdlNumber: MFCD18837610
Smiles: O=Cc1cc(Br)cc(c1F)C(F)(F)F
Complexity: 218
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AA45039
ChemicalName:
5-Bromo-2-fluoro-3-(trifluoromethyl)benzaldehyde
CasNumber:
1291487-26-7
MolecularFormula:
C8H3BrF4O
MolecularWeight:
271.0064327999999
MdlNumber:
MFCD18837610
Smiles:
O=Cc1cc(Br)cc(c1F)C(F)(F)F
Complexity:
218
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: AA45040
ChemicalName: 4,6-Dibromo-2,3-difluoroanisole
CasNumber: 1291487-25-6
MolecularFormula: C7H4Br2F2O
MolecularWeight: 301.9109
MdlNumber: MFCD18837622
Smiles: COc1c(Br)cc(c(c1F)F)Br
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 3.5
CatalogNumber:
AA45040
ChemicalName:
4,6-Dibromo-2,3-difluoroanisole
CasNumber:
1291487-25-6
MolecularFormula:
C7H4Br2F2O
MolecularWeight:
301.9109
MdlNumber:
MFCD18837622
Smiles:
COc1c(Br)cc(c(c1F)F)Br
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
3.5