AD22445
482578-63-2 | Methyl 2-bromomethyl-6-chloro-benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD22445
ChemicalName
Methyl 2-bromomethyl-6-chloro-benzoate
CasNumber
482578-63-2
MolecularFormula
C9H8BrClO2
MolecularWeight
263.5156
MdlNumber
MFCD04114325
Smiles
COC(=O)c1c(Cl)cccc1CBr
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AD22445
ChemicalName: Methyl 2-bromomethyl-6-chloro-benzoate
CasNumber: 482578-63-2
MolecularFormula: C9H8BrClO2
MolecularWeight: 263.5156
MdlNumber: MFCD04114325
Smiles: COC(=O)c1c(Cl)cccc1CBr
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AD22445
ChemicalName:
Methyl 2-bromomethyl-6-chloro-benzoate
CasNumber:
482578-63-2
MolecularFormula:
C9H8BrClO2
MolecularWeight:
263.5156
MdlNumber:
MFCD04114325
Smiles:
COC(=O)c1c(Cl)cccc1CBr
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AD22446
ChemicalName: Isoimperatorin
CasNumber: 482-45-1
MolecularFormula: C16H14O4
MolecularWeight: 270.28
MdlNumber: MFCD00272155
Smiles: CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C
Complexity: 436
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.8
CatalogNumber:
AD22446
ChemicalName:
Isoimperatorin
CasNumber:
482-45-1
MolecularFormula:
C16H14O4
MolecularWeight:
270.28
MdlNumber:
MFCD00272155
Smiles:
CC(=CCOc1c2ccoc2cc2c1ccc(=O)o2)C
Complexity:
436
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.8
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Smiles: CN1CC=C(C=C1)C1=C2C=CC(=N2)C=c2ccc(=CC3=NC(=Cc4n(c1c(C1=CCN(C=C1)C)c4C1=CCN(C=C1)C)C1=CCN(C=C1)C)C=C3)[nH]2.[Cu]
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Smiles:
CN1CC=C(C=C1)C1=C2C=CC(=N2)C=c2ccc(=CC3=NC(=Cc4n(c1c(C1=CCN(C=C1)C)c4C1=CCN(C=C1)C)C1=CCN(C=C1)C)C=C3)[nH]2.[Cu]
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Smiles: Nc1ccc(c(c1)C)N1CCOCC1=O
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Smiles:
Nc1ccc(c(c1)C)N1CCOCC1=O
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