AE34538
1212021-11-8 | 3-Chloro-5-cyanophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AE34538
ChemicalName
3-Chloro-5-cyanophenylboronic acid, pinacol ester
CasNumber
1212021-11-8
MolecularFormula
C13H15BClNO2
MolecularWeight
263.5277
MdlNumber
MFCD16659095
Smiles
N#Cc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
360
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AE34538
ChemicalName: 3-Chloro-5-cyanophenylboronic acid, pinacol ester
CasNumber: 1212021-11-8
MolecularFormula: C13H15BClNO2
MolecularWeight: 263.5277
MdlNumber: MFCD16659095
Smiles: N#Cc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 360
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AE34538
ChemicalName:
3-Chloro-5-cyanophenylboronic acid, pinacol ester
CasNumber:
1212021-11-8
MolecularFormula:
C13H15BClNO2
MolecularWeight:
263.5277
MdlNumber:
MFCD16659095
Smiles:
N#Cc1cc(Cl)cc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
360
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
CatalogNumber: AE34539
ChemicalName: 4-(Cbz-Amino)-2-fluorophenylboronic acid, pinacol ester
CasNumber: 1218791-13-9
MolecularFormula: C20H23BFNO4
MolecularWeight: 371.2103231999999
MdlNumber: MFCD11054035
Smiles: O=C(Nc1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Complexity: 508
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
CatalogNumber:
AE34539
ChemicalName:
4-(Cbz-Amino)-2-fluorophenylboronic acid, pinacol ester
CasNumber:
1218791-13-9
MolecularFormula:
C20H23BFNO4
MolecularWeight:
371.2103231999999
MdlNumber:
MFCD11054035
Smiles:
O=C(Nc1ccc(c(c1)F)B1OC(C(O1)(C)C)(C)C)OCc1ccccc1
Complexity:
508
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
CatalogNumber: AE34540
ChemicalName: 3-(4-Bromo-2-fluorophenyl)propanoic acid
CasNumber: 134057-95-7
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD06823987
Smiles: OC(=O)CCc1ccc(cc1F)Br
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
CatalogNumber:
AE34540
ChemicalName:
3-(4-Bromo-2-fluorophenyl)propanoic acid
CasNumber:
134057-95-7
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD06823987
Smiles:
OC(=O)CCc1ccc(cc1F)Br
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
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Smiles: CCOc1ccccc1NN.Cl
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Smiles:
CCOc1ccccc1NN.Cl
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