AH84470
908562-25-4 | Methyl 3-bromomethyl-4-cyanobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AH84470
ChemicalName
Methyl 3-bromomethyl-4-cyanobenzoate
CasNumber
908562-25-4
MolecularFormula
C10H8BrNO2
MolecularWeight
254.08
MdlNumber
MFCD09839300
Smiles
COC(=O)c1ccc(c(c1)CBr)C#N
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AH84470
ChemicalName: Methyl 3-bromomethyl-4-cyanobenzoate
CasNumber: 908562-25-4
MolecularFormula: C10H8BrNO2
MolecularWeight: 254.08
MdlNumber: MFCD09839300
Smiles: COC(=O)c1ccc(c(c1)CBr)C#N
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AH84470
ChemicalName:
Methyl 3-bromomethyl-4-cyanobenzoate
CasNumber:
908562-25-4
MolecularFormula:
C10H8BrNO2
MolecularWeight:
254.08
MdlNumber:
MFCD09839300
Smiles:
COC(=O)c1ccc(c(c1)CBr)C#N
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1scc(c1)Br
Complexity: 244
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1scc(c1)Br
Complexity:
244
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AH84472
ChemicalName: 5-Chloro-2-fluoropyridine-3-boronic acid pinacol ester
CasNumber: 937595-72-7
MolecularFormula: C11H14BClFNO2
MolecularWeight: 257.4968
MdlNumber: MFCD08063076
Smiles: CC1(C)OB(OC1(C)C)c1cc(Cl)cnc1F
Complexity: 287
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AH84472
ChemicalName:
5-Chloro-2-fluoropyridine-3-boronic acid pinacol ester
CasNumber:
937595-72-7
MolecularFormula:
C11H14BClFNO2
MolecularWeight:
257.4968
MdlNumber:
MFCD08063076
Smiles:
CC1(C)OB(OC1(C)C)c1cc(Cl)cnc1F
Complexity:
287
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AH84473
ChemicalName: Methyl 6-amino-2-methylnicotinate
CasNumber: 872355-52-7
MolecularFormula: C8H10N2O2
MolecularWeight: 166.1772
MdlNumber: MFCD08062965
Smiles: COC(=O)c1ccc(nc1C)N
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 0.8
CatalogNumber:
AH84473
ChemicalName:
Methyl 6-amino-2-methylnicotinate
CasNumber:
872355-52-7
MolecularFormula:
C8H10N2O2
MolecularWeight:
166.1772
MdlNumber:
MFCD08062965
Smiles:
COC(=O)c1ccc(nc1C)N
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
0.8