AE09457
117738-74-6 | Methyl 4-bromo-3-chlorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE09457
ChemicalName
Methyl 4-bromo-3-chlorobenzoate
CasNumber
117738-74-6
MolecularFormula
C8H6BrClO2
MolecularWeight
249.489
MdlNumber
MFCD11045619
Smiles
COC(=O)c1ccc(c(c1)Cl)Br
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AE09457
ChemicalName: Methyl 4-bromo-3-chlorobenzoate
CasNumber: 117738-74-6
MolecularFormula: C8H6BrClO2
MolecularWeight: 249.489
MdlNumber: MFCD11045619
Smiles: COC(=O)c1ccc(c(c1)Cl)Br
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AE09457
ChemicalName:
Methyl 4-bromo-3-chlorobenzoate
CasNumber:
117738-74-6
MolecularFormula:
C8H6BrClO2
MolecularWeight:
249.489
MdlNumber:
MFCD11045619
Smiles:
COC(=O)c1ccc(c(c1)Cl)Br
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.1
CatalogNumber: AE09458
ChemicalName: 2-Chlorothieno[3,2-d]pyrimidine
CasNumber: 1119280-68-0
MolecularFormula: C6H3ClN2S
MolecularWeight: 170.6194
MdlNumber: MFCD12406127
Smiles: Clc1nc2ccsc2cn1
Complexity: 133
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
AE09458
ChemicalName:
2-Chlorothieno[3,2-d]pyrimidine
CasNumber:
1119280-68-0
MolecularFormula:
C6H3ClN2S
MolecularWeight:
170.6194
MdlNumber:
MFCD12406127
Smiles:
Clc1nc2ccsc2cn1
Complexity:
133
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
RotatableBondCount:
__
Xlogp3:
2.3
CatalogNumber: AE09459
ChemicalName: Ethyl 2-methyl-3-oxo-3-phenylpropanoate
CasNumber: 10488-87-6
MolecularFormula: C12H14O3
MolecularWeight: 206.23776000000004
MdlNumber: MFCD00026882
Smiles: CCOC(=O)C(C(=O)c1ccccc1)C
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.6
CatalogNumber:
AE09459
ChemicalName:
Ethyl 2-methyl-3-oxo-3-phenylpropanoate
CasNumber:
10488-87-6
MolecularFormula:
C12H14O3
MolecularWeight:
206.23776000000004
MdlNumber:
MFCD00026882
Smiles:
CCOC(=O)C(C(=O)c1ccccc1)C
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.6
CatalogNumber: AE09460
ChemicalName: 3-Nitro-6-(trifluoromethyl)pyridin-2-ol
CasNumber: 117519-07-0
MolecularFormula: C6H3F3N2O3
MolecularWeight: 208.0948
MdlNumber: MFCD19981826
Smiles: [O-][N+](=O)c1ccc(nc1O)C(F)(F)F
Complexity: 350
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
RotatableBondCount: __
Xlogp3: 1.1
CatalogNumber:
AE09460
ChemicalName:
3-Nitro-6-(trifluoromethyl)pyridin-2-ol
CasNumber:
117519-07-0
MolecularFormula:
C6H3F3N2O3
MolecularWeight:
208.0948
MdlNumber:
MFCD19981826
Smiles:
[O-][N+](=O)c1ccc(nc1O)C(F)(F)F
Complexity:
350
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
RotatableBondCount:
__
Xlogp3:
1.1