AB25743
247186-56-7 | tert-Butyl 3-formylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB25743
ChemicalName
tert-Butyl 3-formylbenzoate
CasNumber
247186-56-7
MolecularFormula
C12H14O3
MolecularWeight
206.2378
MdlNumber
MFCD02180885
Smiles
O=Cc1cccc(c1)C(=O)OC(C)(C)C
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.2
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CatalogNumber: AB25743
ChemicalName: tert-Butyl 3-formylbenzoate
CasNumber: 247186-56-7
MolecularFormula: C12H14O3
MolecularWeight: 206.2378
MdlNumber: MFCD02180885
Smiles: O=Cc1cccc(c1)C(=O)OC(C)(C)C
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.2
CatalogNumber:
AB25743
ChemicalName:
tert-Butyl 3-formylbenzoate
CasNumber:
247186-56-7
MolecularFormula:
C12H14O3
MolecularWeight:
206.2378
MdlNumber:
MFCD02180885
Smiles:
O=Cc1cccc(c1)C(=O)OC(C)(C)C
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(ccc1Br)C(=O)OC(C)(C)C
Complexity: 247
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(ccc1Br)C(=O)OC(C)(C)C
Complexity:
247
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4
CatalogNumber: AB25745
ChemicalName: tert-Butyl 3-benzyloxy-4-bromobenzoate
CasNumber: 247186-50-1
MolecularFormula: C18H19BrO3
MolecularWeight: 363.2457
MdlNumber: MFCD09027266
Smiles: O=C(c1ccc(c(c1)OCc1ccccc1)Br)OC(C)(C)C
Complexity: 358
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 4.9
CatalogNumber:
AB25745
ChemicalName:
tert-Butyl 3-benzyloxy-4-bromobenzoate
CasNumber:
247186-50-1
MolecularFormula:
C18H19BrO3
MolecularWeight:
363.2457
MdlNumber:
MFCD09027266
Smiles:
O=C(c1ccc(c(c1)OCc1ccccc1)Br)OC(C)(C)C
Complexity:
358
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
4.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC[C@@H](C(=O)N)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC[C@@H](C(=O)N)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__