AD90768
877149-81-0 | 3-Hydroxymethyl-pyridyl-5-boronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AD90768
ChemicalName
3-Hydroxymethyl-pyridyl-5-boronic acid pinacol ester
CasNumber
877149-81-0
MolecularFormula
C12H18BNO3
MolecularWeight
235.0872
MdlNumber
MFCD11617919
Smiles
OCc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AD90768
ChemicalName: 3-Hydroxymethyl-pyridyl-5-boronic acid pinacol ester
CasNumber: 877149-81-0
MolecularFormula: C12H18BNO3
MolecularWeight: 235.0872
MdlNumber: MFCD11617919
Smiles: OCc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AD90768
ChemicalName:
3-Hydroxymethyl-pyridyl-5-boronic acid pinacol ester
CasNumber:
877149-81-0
MolecularFormula:
C12H18BNO3
MolecularWeight:
235.0872
MdlNumber:
MFCD11617919
Smiles:
OCc1cncc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AD90769
ChemicalName: 4-(Ureido)phenylboronic acid, pinacol ester
CasNumber: 877134-77-5
MolecularFormula: C13H19BN2O3
MolecularWeight: 262.1126
MdlNumber: MFCD06795683
Smiles: NC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity: 336
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
CatalogNumber:
AD90769
ChemicalName:
4-(Ureido)phenylboronic acid, pinacol ester
CasNumber:
877134-77-5
MolecularFormula:
C13H19BN2O3
MolecularWeight:
262.1126
MdlNumber:
MFCD06795683
Smiles:
NC(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Complexity:
336
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=CNc1ccc(cc1)c1ccc(cc1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=CNc1ccc(cc1)c1ccc(cc1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AD90771
ChemicalName: 6-Chloro-4-iodopyridin-3-ol
CasNumber: 877133-58-9
MolecularFormula: C5H3ClINO
MolecularWeight: 255.4408899999999
MdlNumber: MFCD11977445
Smiles: Clc1ncc(c(c1)I)O
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AD90771
ChemicalName:
6-Chloro-4-iodopyridin-3-ol
CasNumber:
877133-58-9
MolecularFormula:
C5H3ClINO
MolecularWeight:
255.4408899999999
MdlNumber:
MFCD11977445
Smiles:
Clc1ncc(c(c1)I)O
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__