AB49545
211738-66-8 | Methyl 4-bromo-1-methyl-1h-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB49545
ChemicalName
Methyl 4-bromo-1-methyl-1h-pyrazole-3-carboxylate
CasNumber
211738-66-8
MolecularFormula
C6H7BrN2O2
MolecularWeight
219.036
MdlNumber
MFCD02253785
Smiles
COC(=O)c1nn(cc1Br)C
Complexity
165
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AB49545
ChemicalName: Methyl 4-bromo-1-methyl-1h-pyrazole-3-carboxylate
CasNumber: 211738-66-8
MolecularFormula: C6H7BrN2O2
MolecularWeight: 219.036
MdlNumber: MFCD02253785
Smiles: COC(=O)c1nn(cc1Br)C
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AB49545
ChemicalName:
Methyl 4-bromo-1-methyl-1h-pyrazole-3-carboxylate
CasNumber:
211738-66-8
MolecularFormula:
C6H7BrN2O2
MolecularWeight:
219.036
MdlNumber:
MFCD02253785
Smiles:
COC(=O)c1nn(cc1Br)C
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.1
CatalogNumber: AB49546
ChemicalName: 3,4-Dihydro-1(2H)-isoquinolinone-6-boronic acid pinacol ester
CasNumber: 376584-30-4
MolecularFormula: C15H20BNO3
MolecularWeight: 273.1352
MdlNumber: MFCD11044671
Smiles: O=C1NCCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity: 394
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB49546
ChemicalName:
3,4-Dihydro-1(2H)-isoquinolinone-6-boronic acid pinacol ester
CasNumber:
376584-30-4
MolecularFormula:
C15H20BNO3
MolecularWeight:
273.1352
MdlNumber:
MFCD11044671
Smiles:
O=C1NCCc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity:
394
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB49547
ChemicalName: Quinoline-6-boronic acid
CasNumber: 376581-24-7
MolecularFormula: C9H8BNO2
MolecularWeight: 172.9763
MdlNumber: MFCD13194044
Smiles: OB(c1ccc2c(c1)cccn2)O
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB49547
ChemicalName:
Quinoline-6-boronic acid
CasNumber:
376581-24-7
MolecularFormula:
C9H8BNO2
MolecularWeight:
172.9763
MdlNumber:
MFCD13194044
Smiles:
OB(c1ccc2c(c1)cccn2)O
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C[C@@H]1COCCN1C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C[C@@H]1COCCN1C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__