AA73631
1485110-17-5 | 2-Chloro-4-hydroxymethylphenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA73631
ChemicalName
2-Chloro-4-hydroxymethylphenylboronic acid, pinacol ester
CasNumber
1485110-17-5
MolecularFormula
C13H18BClO3
MolecularWeight
268.5442
MdlNumber
MFCD18434467
Smiles
OCc1ccc(c(c1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AA73631
ChemicalName: 2-Chloro-4-hydroxymethylphenylboronic acid, pinacol ester
CasNumber: 1485110-17-5
MolecularFormula: C13H18BClO3
MolecularWeight: 268.5442
MdlNumber: MFCD18434467
Smiles: OCc1ccc(c(c1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AA73631
ChemicalName:
2-Chloro-4-hydroxymethylphenylboronic acid, pinacol ester
CasNumber:
1485110-17-5
MolecularFormula:
C13H18BClO3
MolecularWeight:
268.5442
MdlNumber:
MFCD18434467
Smiles:
OCc1ccc(c(c1)Cl)B1OC(C(O1)(C)C)(C)C
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1c(C)cccc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1c(C)cccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA73634
ChemicalName: Ethyl 2-cyclopropyl-4-(4-fluorophenyl)-quinolyl-3-carboxylate
CasNumber: 148516-11-4
MolecularFormula: C21H18FNO2
MolecularWeight: 335.37152319999996
MdlNumber: MFCD09032923
Smiles: CCOC(=O)c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
Complexity: 473
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 5
CatalogNumber:
AA73634
ChemicalName:
Ethyl 2-cyclopropyl-4-(4-fluorophenyl)-quinolyl-3-carboxylate
CasNumber:
148516-11-4
MolecularFormula:
C21H18FNO2
MolecularWeight:
335.37152319999996
MdlNumber:
MFCD09032923
Smiles:
CCOC(=O)c1c(nc2c(c1c1ccc(cc1)F)cccc2)C1CC1
Complexity:
473
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)OC(=O)OCC1c2ccccc2-c2c1cccc2)CN([C@H](C(=O)O)CC(C)C)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)OC(=O)OCC1c2ccccc2-c2c1cccc2)CN([C@H](C(=O)O)CC(C)C)C(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__