AG29535
455941-82-9 | Methyl 3-bromo-4-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AG29535
ChemicalName
Methyl 3-bromo-4-(trifluoromethyl)benzoate
CasNumber
455941-82-9
MolecularFormula
C9H6BrF3O2
MolecularWeight
283.0419
MdlNumber
MFCD14697998
Smiles
COC(=O)c1ccc(c(c1)Br)C(F)(F)F
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AG29535
ChemicalName: Methyl 3-bromo-4-(trifluoromethyl)benzoate
CasNumber: 455941-82-9
MolecularFormula: C9H6BrF3O2
MolecularWeight: 283.0419
MdlNumber: MFCD14697998
Smiles: COC(=O)c1ccc(c(c1)Br)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AG29535
ChemicalName:
Methyl 3-bromo-4-(trifluoromethyl)benzoate
CasNumber:
455941-82-9
MolecularFormula:
C9H6BrF3O2
MolecularWeight:
283.0419
MdlNumber:
MFCD14697998
Smiles:
COC(=O)c1ccc(c(c1)Br)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1nc[nH]c1N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1nc[nH]c1N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG29537
ChemicalName: Methyl 5-amino-2,6-dichloropyrimidine-4-carboxylate
CasNumber: 502184-51-2
MolecularFormula: C6H5Cl2N3O2
MolecularWeight: 222.0288
MdlNumber: MFCD16660538
Smiles: COC(=O)c1nc(Cl)nc(c1N)Cl
Complexity: 204
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AG29537
ChemicalName:
Methyl 5-amino-2,6-dichloropyrimidine-4-carboxylate
CasNumber:
502184-51-2
MolecularFormula:
C6H5Cl2N3O2
MolecularWeight:
222.0288
MdlNumber:
MFCD16660538
Smiles:
COC(=O)c1nc(Cl)nc(c1N)Cl
Complexity:
204
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc2c(s1)c(Br)ccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc2c(s1)c(Br)ccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__