AA30715
1255574-35-6 | Methyl 3-bromo-5-isobutoxybenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA30715
ChemicalName
Methyl 3-bromo-5-isobutoxybenzoate
CasNumber
1255574-35-6
MolecularFormula
C12H15BrO3
MolecularWeight
287.1497
MdlNumber
MFCD17926493
Smiles
COC(=O)c1cc(OCC(C)C)cc(c1)Br
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
3.8
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CatalogNumber: AA30715
ChemicalName: Methyl 3-bromo-5-isobutoxybenzoate
CasNumber: 1255574-35-6
MolecularFormula: C12H15BrO3
MolecularWeight: 287.1497
MdlNumber: MFCD17926493
Smiles: COC(=O)c1cc(OCC(C)C)cc(c1)Br
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 3.8
CatalogNumber:
AA30715
ChemicalName:
Methyl 3-bromo-5-isobutoxybenzoate
CasNumber:
1255574-35-6
MolecularFormula:
C12H15BrO3
MolecularWeight:
287.1497
MdlNumber:
MFCD17926493
Smiles:
COC(=O)c1cc(OCC(C)C)cc(c1)Br
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
3.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC[C@H](C1)Nc1ccccn1)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
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:
O=C(N1CCC[C@H](C1)Nc1ccccn1)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(c1ccc(c(c1)Cl)Cl)Oc1ccccc1C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(c1ccc(c(c1)Cl)Cl)Oc1ccccc1C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Complexity: 660
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 6.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1
Complexity:
660
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
6.3