AI48514
347174-28-1 | tert-Butyl 4-bromo-3-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI48514
ChemicalName
tert-Butyl 4-bromo-3-methylbenzoate
CasNumber
347174-28-1
MolecularFormula
C12H15BrO2
MolecularWeight
271.1503
MdlNumber
MFCD08703429
Smiles
O=C(c1ccc(c(c1)C)Br)OC(C)(C)C
Complexity
232
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.8
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CatalogNumber: AI48514
ChemicalName: tert-Butyl 4-bromo-3-methylbenzoate
CasNumber: 347174-28-1
MolecularFormula: C12H15BrO2
MolecularWeight: 271.1503
MdlNumber: MFCD08703429
Smiles: O=C(c1ccc(c(c1)C)Br)OC(C)(C)C
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AI48514
ChemicalName:
tert-Butyl 4-bromo-3-methylbenzoate
CasNumber:
347174-28-1
MolecularFormula:
C12H15BrO2
MolecularWeight:
271.1503
MdlNumber:
MFCD08703429
Smiles:
O=C(c1ccc(c(c1)C)Br)OC(C)(C)C
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.8
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Smiles: Brc1cc(cc(c1[O-])Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O.[Na+]
Complexity: __
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HeavyAtomCount: __
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Smiles:
Brc1cc(cc(c1[O-])Br)C1(OS(=O)(=O)c2c1cccc2)c1cc(Br)c(c(c1)Br)O.[Na+]
Complexity:
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Smiles: CC(=O)c1cc(cs1)Cl
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CC(=O)c1cc(cs1)Cl
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Smiles: NCCNCCS(=O)(=O)[O-].[Na+]
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Smiles:
NCCNCCS(=O)(=O)[O-].[Na+]
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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