AA30873
1256345-46-6 | Isoquinoline-5-boronic acid, HCl
Manufacturer: A2B Chem
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CatalogNumber
AA30873
ChemicalName
Isoquinoline-5-boronic acid, HCl
CasNumber
1256345-46-6
MolecularFormula
C9H9BClNO2
MolecularWeight
209.4373
MdlNumber
MFCD08235064
Smiles
OB(c1cccc2c1ccnc2)O.Cl
Complexity
177
Covalently-bondedUnitCount
2
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
1
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CatalogNumber: AA30873
ChemicalName: Isoquinoline-5-boronic acid, HCl
CasNumber: 1256345-46-6
MolecularFormula: C9H9BClNO2
MolecularWeight: 209.4373
MdlNumber: MFCD08235064
Smiles: OB(c1cccc2c1ccnc2)O.Cl
Complexity: 177
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 1
CatalogNumber:
AA30873
ChemicalName:
Isoquinoline-5-boronic acid, HCl
CasNumber:
1256345-46-6
MolecularFormula:
C9H9BClNO2
MolecularWeight:
209.4373
MdlNumber:
MFCD08235064
Smiles:
OB(c1cccc2c1ccnc2)O.Cl
Complexity:
177
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
1
CatalogNumber: AA30874
ChemicalName: 3-Butoxy-5-trifluoromethylphenylboronic acid
CasNumber: 1256345-45-5
MolecularFormula: C11H14BF3O3
MolecularWeight: 262.0333
MdlNumber: MFCD16660266
Smiles: CCCCOc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AA30874
ChemicalName:
3-Butoxy-5-trifluoromethylphenylboronic acid
CasNumber:
1256345-45-5
MolecularFormula:
C11H14BF3O3
MolecularWeight:
262.0333
MdlNumber:
MFCD16660266
Smiles:
CCCCOc1cc(cc(c1)C(F)(F)F)B(O)O
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
5
CatalogNumber: AA30875
ChemicalName: 3-Isopropoxy-5-trifluoromethylphenylboronic acid
CasNumber: 1256345-44-4
MolecularFormula: C10H12BF3O3
MolecularWeight: 248.0067
MdlNumber: MFCD16660265
Smiles: CC(Oc1cc(cc(c1)C(F)(F)F)B(O)O)C
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AA30875
ChemicalName:
3-Isopropoxy-5-trifluoromethylphenylboronic acid
CasNumber:
1256345-44-4
MolecularFormula:
C10H12BF3O3
MolecularWeight:
248.0067
MdlNumber:
MFCD16660265
Smiles:
CC(Oc1cc(cc(c1)C(F)(F)F)B(O)O)C
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
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Smiles: CN1CCC(CC1)(C(=O)OCc1ccc(c(c1)Cl)Cl)c1ccc2c(c1)cccc2
Complexity: __
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Smiles:
CN1CCC(CC1)(C(=O)OCc1ccc(c(c1)Cl)Cl)c1ccc2c(c1)cccc2
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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