AX55389
2096336-88-6 | [4-Chloro-5-(pyridin-3-ylmethoxy)-2-(trifluoromethyl)phenyl]boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AX55389
ChemicalName
[4-Chloro-5-(pyridin-3-ylmethoxy)-2-(trifluoromethyl)phenyl]boronic acid
CasNumber
2096336-88-6
MolecularFormula
C13H10BClF3NO3
MolecularWeight
331.4826
MdlNumber
MFCD20441810
Smiles
Clc1cc(c(cc1OCc1cccnc1)B(O)O)C(F)(F)F
Complexity
362
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AX55389
ChemicalName: [4-Chloro-5-(pyridin-3-ylmethoxy)-2-(trifluoromethyl)phenyl]boronic acid
CasNumber: 2096336-88-6
MolecularFormula: C13H10BClF3NO3
MolecularWeight: 331.4826
MdlNumber: MFCD20441810
Smiles: Clc1cc(c(cc1OCc1cccnc1)B(O)O)C(F)(F)F
Complexity: 362
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55389
ChemicalName:
[4-Chloro-5-(pyridin-3-ylmethoxy)-2-(trifluoromethyl)phenyl]boronic acid
CasNumber:
2096336-88-6
MolecularFormula:
C13H10BClF3NO3
MolecularWeight:
331.4826
MdlNumber:
MFCD20441810
Smiles:
Clc1cc(c(cc1OCc1cccnc1)B(O)O)C(F)(F)F
Complexity:
362
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AX55390
ChemicalName: 3-Chloro-3-(N-propylaminomethyl)phenylboronic acid, pinacol ester
CasNumber: 2096341-81-8
MolecularFormula: C16H25BClNO2
MolecularWeight: 309.6392
MdlNumber: MFCD20441918
Smiles: CCCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Complexity: 335
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 5
CatalogNumber:
AX55390
ChemicalName:
3-Chloro-3-(N-propylaminomethyl)phenylboronic acid, pinacol ester
CasNumber:
2096341-81-8
MolecularFormula:
C16H25BClNO2
MolecularWeight:
309.6392
MdlNumber:
MFCD20441918
Smiles:
CCCNCc1c(Cl)cccc1B1OC(C(O1)(C)C)(C)C
Complexity:
335
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
5
CatalogNumber: AX55391
ChemicalName: 2-Fluoro-3-(methoxymethoxy)phenylboronic acid
CasNumber: 2096331-58-5
MolecularFormula: C8H10BFO4
MolecularWeight: 199.972
MdlNumber: MFCD18914499
Smiles: COCOc1cccc(c1F)B(O)O
Complexity: 169
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AX55391
ChemicalName:
2-Fluoro-3-(methoxymethoxy)phenylboronic acid
CasNumber:
2096331-58-5
MolecularFormula:
C8H10BFO4
MolecularWeight:
199.972
MdlNumber:
MFCD18914499
Smiles:
COCOc1cccc(c1F)B(O)O
Complexity:
169
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AX55392
ChemicalName: 2-Fluoro-3-isobutoxy-5-(trifluoromethoxy)phenylboronic acid
CasNumber: 2096340-02-0
MolecularFormula: C11H13BF4O4
MolecularWeight: 296.0231
MdlNumber: MFCD21609534
Smiles: CC(COc1cc(cc(c1F)B(O)O)OC(F)(F)F)C
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AX55392
ChemicalName:
2-Fluoro-3-isobutoxy-5-(trifluoromethoxy)phenylboronic acid
CasNumber:
2096340-02-0
MolecularFormula:
C11H13BF4O4
MolecularWeight:
296.0231
MdlNumber:
MFCD21609534
Smiles:
CC(COc1cc(cc(c1F)B(O)O)OC(F)(F)F)C
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
5