AA86949
165111-46-6 | Methyl 2-(bromomethyl)-4-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA86949
ChemicalName
Methyl 2-(bromomethyl)-4-cyanobenzoate
CasNumber
165111-46-6
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD09864855
Smiles
COC(=O)c1ccc(cc1CBr)C#N
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AA86949
ChemicalName: Methyl 2-(bromomethyl)-4-cyanobenzoate
CasNumber: 165111-46-6
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD09864855
Smiles: COC(=O)c1ccc(cc1CBr)C#N
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AA86949
ChemicalName:
Methyl 2-(bromomethyl)-4-cyanobenzoate
CasNumber:
165111-46-6
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD09864855
Smiles:
COC(=O)c1ccc(cc1CBr)C#N
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ccc2c(n1)ccc(c2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ccc2c(n1)ccc(c2)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCC1COS(=O)(=O)O1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCC1COS(=O)(=O)O1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA86956
ChemicalName: 3,4-Dihydro-1h-benzo[b]azepine-2,5-dione
CasNumber: 16511-38-9
MolecularFormula: C10H9NO2
MolecularWeight: 175.184
MdlNumber: MFCD02167972
Smiles: O=C1CCC(=O)c2c(N1)cccc2
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: __
Xlogp3: 0.5
CatalogNumber:
AA86956
ChemicalName:
3,4-Dihydro-1h-benzo[b]azepine-2,5-dione
CasNumber:
16511-38-9
MolecularFormula:
C10H9NO2
MolecularWeight:
175.184
MdlNumber:
MFCD02167972
Smiles:
O=C1CCC(=O)c2c(N1)cccc2
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
__
Xlogp3:
0.5