AD33509
40705-22-4 | 4-(Benzyloxy)-2-bromo-5-methoxybenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AD33509
ChemicalName
4-(Benzyloxy)-2-bromo-5-methoxybenzaldehyde
CasNumber
40705-22-4
MolecularFormula
C15H13BrO3
MolecularWeight
321.1659
MdlNumber
MFCD02192580
Smiles
COc1cc(C=O)c(cc1OCc1ccccc1)Br
Complexity
279
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
5
Xlogp3
3.5
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CatalogNumber: AD33509
ChemicalName: 4-(Benzyloxy)-2-bromo-5-methoxybenzaldehyde
CasNumber: 40705-22-4
MolecularFormula: C15H13BrO3
MolecularWeight: 321.1659
MdlNumber: MFCD02192580
Smiles: COc1cc(C=O)c(cc1OCc1ccccc1)Br
Complexity: 279
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 3.5
CatalogNumber:
AD33509
ChemicalName:
4-(Benzyloxy)-2-bromo-5-methoxybenzaldehyde
CasNumber:
40705-22-4
MolecularFormula:
C15H13BrO3
MolecularWeight:
321.1659
MdlNumber:
MFCD02192580
Smiles:
COc1cc(C=O)c(cc1OCc1ccccc1)Br
Complexity:
279
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
3.5
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Smiles: O=C1CC(C1(C)C)(C)C
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Smiles:
O=C1CC(C1(C)C)(C)C
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RotatableBondCount:
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Smiles: O=C1OC2C(C1)C(C(C2)OC(=O)c1ccc(cc1)c1ccccc1)/C=C/C(=O)COc1cccc(c1)C(F)(F)F
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Smiles:
O=C1OC2C(C1)C(C(C2)OC(=O)c1ccc(cc1)c1ccccc1)/C=C/C(=O)COc1cccc(c1)C(F)(F)F
Complexity:
__
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HydrogenBondAcceptorCount:
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Smiles: O=C(C(F)(F)F)N1CCCN(CCNCCCN(CC1)C(=O)C(F)(F)F)C(=O)C(F)(F)F
Complexity: __
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(C(F)(F)F)N1CCCN(CCNCCCN(CC1)C(=O)C(F)(F)F)C(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__