AA52716
1214336-55-6 | 2-Bromo-5-(trifluoromethyl)benzoic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AA52716
ChemicalName
2-Bromo-5-(trifluoromethyl)benzoic acid ethyl ester
CasNumber
1214336-55-6
MolecularFormula
C10H8BrF3O2
MolecularWeight
297.0685
MdlNumber
MFCD09999462
Smiles
CCOC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AA52716
ChemicalName: 2-Bromo-5-(trifluoromethyl)benzoic acid ethyl ester
CasNumber: 1214336-55-6
MolecularFormula: C10H8BrF3O2
MolecularWeight: 297.0685
MdlNumber: MFCD09999462
Smiles: CCOC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AA52716
ChemicalName:
2-Bromo-5-(trifluoromethyl)benzoic acid ethyl ester
CasNumber:
1214336-55-6
MolecularFormula:
C10H8BrF3O2
MolecularWeight:
297.0685
MdlNumber:
MFCD09999462
Smiles:
CCOC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AA52717
ChemicalName: Methyl 5-bromo-3-chloropicolinate
CasNumber: 1214336-41-0
MolecularFormula: C7H5BrClNO2
MolecularWeight: 250.4771
MdlNumber: MFCD14698107
Smiles: COC(=O)c1ncc(cc1Cl)Br
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.4
CatalogNumber:
AA52717
ChemicalName:
Methyl 5-bromo-3-chloropicolinate
CasNumber:
1214336-41-0
MolecularFormula:
C7H5BrClNO2
MolecularWeight:
250.4771
MdlNumber:
MFCD14698107
Smiles:
COC(=O)c1ncc(cc1Cl)Br
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.4
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Smiles: COC(=O)c1cc(Br)ncc1Cl
Complexity: __
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HeavyAtomCount: __
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Smiles:
COC(=O)c1cc(Br)ncc1Cl
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: COC(=O)c1nc(F)ccc1F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)c1nc(F)ccc1F
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__