AB52491
1425970-61-1 | N-Boc-Piperidin-4-ylmethyleneboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB52491
ChemicalName
N-Boc-Piperidin-4-ylmethyleneboronic acid pinacol ester
CasNumber
1425970-61-1
MolecularFormula
C17H30BNO4
MolecularWeight
323.2354
MdlNumber
MFCD14706665
Smiles
O=C(N1CCC(=CB2OC(C(O2)(C)C)(C)C)CC1)OC(C)(C)C
Complexity
467
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
RotatableBondCount
3
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CatalogNumber: AB52491
ChemicalName: N-Boc-Piperidin-4-ylmethyleneboronic acid pinacol ester
CasNumber: 1425970-61-1
MolecularFormula: C17H30BNO4
MolecularWeight: 323.2354
MdlNumber: MFCD14706665
Smiles: O=C(N1CCC(=CB2OC(C(O2)(C)C)(C)C)CC1)OC(C)(C)C
Complexity: 467
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
CatalogNumber:
AB52491
ChemicalName:
N-Boc-Piperidin-4-ylmethyleneboronic acid pinacol ester
CasNumber:
1425970-61-1
MolecularFormula:
C17H30BNO4
MolecularWeight:
323.2354
MdlNumber:
MFCD14706665
Smiles:
O=C(N1CCC(=CB2OC(C(O2)(C)C)(C)C)CC1)OC(C)(C)C
Complexity:
467
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
CatalogNumber: AB52492
ChemicalName: Ethyl 4-(trifluoromethyl)phenyl acetate
CasNumber: 721-63-1
MolecularFormula: C11H11F3O2
MolecularWeight: 232.199
MdlNumber: MFCD07779351
Smiles: CCOC(=O)Cc1ccc(cc1)C(F)(F)F
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
CatalogNumber:
AB52492
ChemicalName:
Ethyl 4-(trifluoromethyl)phenyl acetate
CasNumber:
721-63-1
MolecularFormula:
C11H11F3O2
MolecularWeight:
232.199
MdlNumber:
MFCD07779351
Smiles:
CCOC(=O)Cc1ccc(cc1)C(F)(F)F
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-]S(=O)(=O)c1cccc(c1)P(c1cccc(c1)S(=O)(=O)[O-])c1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Complexity: 768
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]S(=O)(=O)c1cccc(c1)P(c1cccc(c1)S(=O)(=O)[O-])c1cccc(c1)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Complexity:
768
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AB52494
ChemicalName: 1-(2-Chloro-6-hydroxyphenyl)ethanone
CasNumber: 55736-04-4
MolecularFormula: C8H7ClO2
MolecularWeight: 170.593
MdlNumber: MFCD00218550
Smiles: CC(=O)c1c(O)cccc1Cl
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB52494
ChemicalName:
1-(2-Chloro-6-hydroxyphenyl)ethanone
CasNumber:
55736-04-4
MolecularFormula:
C8H7ClO2
MolecularWeight:
170.593
MdlNumber:
MFCD00218550
Smiles:
CC(=O)c1c(O)cccc1Cl
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1