AC72652
74733-30-5 | Methyl 4-(bromomethyl)-3-chlorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC72652
ChemicalName
Methyl 4-(bromomethyl)-3-chlorobenzoate
CasNumber
74733-30-5
MolecularFormula
C9H8BrClO2
MolecularWeight
263.5156
MdlNumber
MFCD10566565
Smiles
COC(=O)c1ccc(c(c1)Cl)CBr
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3
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CatalogNumber: AC72652
ChemicalName: Methyl 4-(bromomethyl)-3-chlorobenzoate
CasNumber: 74733-30-5
MolecularFormula: C9H8BrClO2
MolecularWeight: 263.5156
MdlNumber: MFCD10566565
Smiles: COC(=O)c1ccc(c(c1)Cl)CBr
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3
CatalogNumber:
AC72652
ChemicalName:
Methyl 4-(bromomethyl)-3-chlorobenzoate
CasNumber:
74733-30-5
MolecularFormula:
C9H8BrClO2
MolecularWeight:
263.5156
MdlNumber:
MFCD10566565
Smiles:
COC(=O)c1ccc(c(c1)Cl)CBr
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3
CatalogNumber: AC72653
ChemicalName: Methyl 4-formyl-3-methoxybenzoate
CasNumber: 74733-24-7
MolecularFormula: C10H10O4
MolecularWeight: 194.184
MdlNumber: MFCD17169951
Smiles: COC(=O)c1ccc(c(c1)OC)C=O
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 1.2
CatalogNumber:
AC72653
ChemicalName:
Methyl 4-formyl-3-methoxybenzoate
CasNumber:
74733-24-7
MolecularFormula:
C10H10O4
MolecularWeight:
194.184
MdlNumber:
MFCD17169951
Smiles:
COC(=O)c1ccc(c(c1)OC)C=O
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
1.2
CatalogNumber: __
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Smiles: ClC(=O)n1cncc1
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ClC(=O)n1cncc1
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Smiles: [O-]C(=O)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)C(=O)[O-].[O-]C(=O)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)C(=O)[O-].[O-]C(=O)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)C(=O)[O-].[Al+3].[Al+3]
Complexity: __
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RotatableBondCount: __
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Smiles:
[O-]C(=O)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)C(=O)[O-].[O-]C(=O)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)C(=O)[O-].[O-]C(=O)c1cc2ccccc2c(c1O)c1c(O)c(cc2c1cccc2)C(=O)[O-].[Al+3].[Al+3]
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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