AB73728
362527-61-5 | Ethyl 3-bromo-4-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB73728
ChemicalName
Ethyl 3-bromo-4-cyanobenzoate
CasNumber
362527-61-5
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD13184275
Smiles
CCOC(=O)c1ccc(c(c1)Br)C#N
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AB73728
ChemicalName: Ethyl 3-bromo-4-cyanobenzoate
CasNumber: 362527-61-5
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD13184275
Smiles: CCOC(=O)c1ccc(c(c1)Br)C#N
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB73728
ChemicalName:
Ethyl 3-bromo-4-cyanobenzoate
CasNumber:
362527-61-5
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD13184275
Smiles:
CCOC(=O)c1ccc(c(c1)Br)C#N
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AB73729
ChemicalName: Ethyl 3-bromo-6-chloropicolinate
CasNumber: 1065074-97-6
MolecularFormula: C8H7BrClNO2
MolecularWeight: 264.5037
MdlNumber: MFCD11053875
Smiles: CCOC(=O)c1nc(Cl)ccc1Br
Complexity: 191
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AB73729
ChemicalName:
Ethyl 3-bromo-6-chloropicolinate
CasNumber:
1065074-97-6
MolecularFormula:
C8H7BrClNO2
MolecularWeight:
264.5037
MdlNumber:
MFCD11053875
Smiles:
CCOC(=O)c1nc(Cl)ccc1Br
Complexity:
191
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1nc2n(c1Br)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1nc2n(c1Br)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)CC(=O)Cl
Complexity: 121
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)CC(=O)Cl
Complexity:
121
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.3