AB86023
890839-31-3 | 4-Carboxy-3-chlorophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB86023
ChemicalName
4-Carboxy-3-chlorophenylboronic acid, pinacol ester
CasNumber
890839-31-3
MolecularFormula
C13H16BClO4
MolecularWeight
282.5277
MdlNumber
MFCD12546621
Smiles
OC(=O)c1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Complexity
356
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AB86023
ChemicalName: 4-Carboxy-3-chlorophenylboronic acid, pinacol ester
CasNumber: 890839-31-3
MolecularFormula: C13H16BClO4
MolecularWeight: 282.5277
MdlNumber: MFCD12546621
Smiles: OC(=O)c1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB86023
ChemicalName:
4-Carboxy-3-chlorophenylboronic acid, pinacol ester
CasNumber:
890839-31-3
MolecularFormula:
C13H16BClO4
MolecularWeight:
282.5277
MdlNumber:
MFCD12546621
Smiles:
OC(=O)c1ccc(cc1Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AB86024
ChemicalName: 4-Carboxy-3-methylphenylboronic acid, pinacol ester
CasNumber: 890839-22-2
MolecularFormula: C14H19BO4
MolecularWeight: 262.10926
MdlNumber: MFCD09037836
Smiles: OC(=O)c1ccc(cc1C)B1OC(C(O1)(C)C)(C)C
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AB86024
ChemicalName:
4-Carboxy-3-methylphenylboronic acid, pinacol ester
CasNumber:
890839-22-2
MolecularFormula:
C14H19BO4
MolecularWeight:
262.10926
MdlNumber:
MFCD09037836
Smiles:
OC(=O)c1ccc(cc1C)B1OC(C(O1)(C)C)(C)C
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
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Smiles: O=C(c1ccc(cc1)c1ccccc1)Cn1cncn1
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O=C(c1ccc(cc1)c1ccccc1)Cn1cncn1
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Smiles: O=c1[nH]c2ccccc2c(c1c1cscc1)C
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O=c1[nH]c2ccccc2c(c1c1cscc1)C
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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