AA10155
1026355-57-6 | Methyl 2-bromo-5-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA10155
ChemicalName
Methyl 2-bromo-5-(trifluoromethyl)benzoate
CasNumber
1026355-57-6
MolecularFormula
C9H6BrF3O2
MolecularWeight
283.0419
MdlNumber
MFCD09999461
Smiles
COC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity
242
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AA10155
ChemicalName: Methyl 2-bromo-5-(trifluoromethyl)benzoate
CasNumber: 1026355-57-6
MolecularFormula: C9H6BrF3O2
MolecularWeight: 283.0419
MdlNumber: MFCD09999461
Smiles: COC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AA10155
ChemicalName:
Methyl 2-bromo-5-(trifluoromethyl)benzoate
CasNumber:
1026355-57-6
MolecularFormula:
C9H6BrF3O2
MolecularWeight:
283.0419
MdlNumber:
MFCD09999461
Smiles:
COC(=O)c1cc(ccc1Br)C(F)(F)F
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3.4
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Smiles: OCC1(CC1)NC(=O)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
OCC1(CC1)NC(=O)c1ccccc1
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: OC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C
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HeavyAtomCount: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: NCc1cccc(c1)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
NCc1cccc(c1)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__