AC90325
929000-18-0 | t-Butyl 4-bromo-2-chlorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC90325
ChemicalName
t-Butyl 4-bromo-2-chlorobenzoate
CasNumber
929000-18-0
MolecularFormula
C11H12BrClO2
MolecularWeight
291.5688
MdlNumber
MFCD08703428
Smiles
Brc1ccc(c(c1)Cl)C(=O)OC(C)(C)C
Complexity
237
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
4.1
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CatalogNumber: AC90325
ChemicalName: t-Butyl 4-bromo-2-chlorobenzoate
CasNumber: 929000-18-0
MolecularFormula: C11H12BrClO2
MolecularWeight: 291.5688
MdlNumber: MFCD08703428
Smiles: Brc1ccc(c(c1)Cl)C(=O)OC(C)(C)C
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 4.1
CatalogNumber:
AC90325
ChemicalName:
t-Butyl 4-bromo-2-chlorobenzoate
CasNumber:
929000-18-0
MolecularFormula:
C11H12BrClO2
MolecularWeight:
291.5688
MdlNumber:
MFCD08703428
Smiles:
Brc1ccc(c(c1)Cl)C(=O)OC(C)(C)C
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
4.1
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Smiles: ClCCCCCC(OC)OC
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HydrogenBondAcceptorCount: __
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Smiles:
ClCCCCCC(OC)OC
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Smiles: CCCCC(C[n+]1ccc(cc1)N(C)C)CC.[Cl-]
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Smiles:
CCCCC(C[n+]1ccc(cc1)N(C)C)CC.[Cl-]
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: CS(=O)(=O)O.CCCCC(C[n+]1ccc(cc1)N(C)C)CC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)O.CCCCC(C[n+]1ccc(cc1)N(C)C)CC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__