AB61794
883899-06-7 | 3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester
Manufacturer: A2B Chem
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CatalogNumber
AB61794
ChemicalName
3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester
CasNumber
883899-06-7
MolecularFormula
C12H13BClNO2
MolecularWeight
249.5011
MdlNumber
MFCD08669560
Smiles
N#Cc1c(cccc1Cl)B1OCC(CO1)(C)C
Complexity
318
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
1
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CatalogNumber: AB61794
ChemicalName: 3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester
CasNumber: 883899-06-7
MolecularFormula: C12H13BClNO2
MolecularWeight: 249.5011
MdlNumber: MFCD08669560
Smiles: N#Cc1c(cccc1Cl)B1OCC(CO1)(C)C
Complexity: 318
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AB61794
ChemicalName:
3-Chloro-2-cyanophenylboronic acid neopentyl glycol ester
CasNumber:
883899-06-7
MolecularFormula:
C12H13BClNO2
MolecularWeight:
249.5011
MdlNumber:
MFCD08669560
Smiles:
N#Cc1c(cccc1Cl)B1OCC(CO1)(C)C
Complexity:
318
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
CatalogNumber: AB61795
ChemicalName: 2-Chloro-6-(chloromethyl)pyridine
CasNumber: 78846-88-5
MolecularFormula: C6H5Cl2N
MolecularWeight: 162.0166
MdlNumber: MFCD07774109
Smiles: ClCc1cccc(n1)Cl
Complexity: 87.1
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB61795
ChemicalName:
2-Chloro-6-(chloromethyl)pyridine
CasNumber:
78846-88-5
MolecularFormula:
C6H5Cl2N
MolecularWeight:
162.0166
MdlNumber:
MFCD07774109
Smiles:
ClCc1cccc(n1)Cl
Complexity:
87.1
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
CatalogNumber: AB61796
ChemicalName: 2-Chloro-6-(ethoxycarbonyl)pyridine-4-boronic acid, pinacol ester
CasNumber: 741709-70-6
MolecularFormula: C14H19BClNO4
MolecularWeight: 311.569
MdlNumber: MFCD11617858
Smiles: CCOC(=O)c1cc(cc(n1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
CatalogNumber:
AB61796
ChemicalName:
2-Chloro-6-(ethoxycarbonyl)pyridine-4-boronic acid, pinacol ester
CasNumber:
741709-70-6
MolecularFormula:
C14H19BClNO4
MolecularWeight:
311.569
MdlNumber:
MFCD11617858
Smiles:
CCOC(=O)c1cc(cc(n1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
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Smiles: CNc1nc(Cl)nc2c1[nH]cn2
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Smiles:
CNc1nc(Cl)nc2c1[nH]cn2
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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