AB44387
540752-87-2 | 3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB44387
ChemicalName
3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
CasNumber
540752-87-2
MolecularFormula
C21H33BN2O4
MolecularWeight
388.3087
MdlNumber
MFCD07781212
Smiles
O=C(N1CCN(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity
551
Covalently-bondedUnitCount
1
HeavyAtomCount
28
HydrogenBondAcceptorCount
5
RotatableBondCount
4
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CatalogNumber: AB44387
ChemicalName: 3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
CasNumber: 540752-87-2
MolecularFormula: C21H33BN2O4
MolecularWeight: 388.3087
MdlNumber: MFCD07781212
Smiles: O=C(N1CCN(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: 551
Covalently-bondedUnitCount: 1
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
CatalogNumber:
AB44387
ChemicalName:
3-[4-(tert-Butoxycarbonyl)piperazin-1-yl]phenylboronic acid pinacol ester
CasNumber:
540752-87-2
MolecularFormula:
C21H33BN2O4
MolecularWeight:
388.3087
MdlNumber:
MFCD07781212
Smiles:
O=C(N1CCN(CC1)c1cccc(c1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
551
Covalently-bondedUnitCount:
1
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
CatalogNumber: AB44388
ChemicalName: 1-(3-Bromo-4-methoxyphenyl)ethanone
CasNumber: 35310-75-9
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD01812494
Smiles: COc1ccc(cc1Br)C(=O)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
CatalogNumber:
AB44388
ChemicalName:
1-(3-Bromo-4-methoxyphenyl)ethanone
CasNumber:
35310-75-9
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD01812494
Smiles:
COc1ccc(cc1Br)C(=O)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1cc(Br)c(c(c1)C(=O)C)O
Complexity: 186
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1cc(Br)c(c(c1)C(=O)C)O
Complexity:
186
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
CatalogNumber: AB44390
ChemicalName: 3'-Fluoro-2'-hydroxyacetophenone
CasNumber: 699-92-3
MolecularFormula: C8H7FO2
MolecularWeight: 154.1383832
MdlNumber: MFCD09055140
Smiles: CC(=O)c1cccc(c1O)F
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
CatalogNumber:
AB44390
ChemicalName:
3'-Fluoro-2'-hydroxyacetophenone
CasNumber:
699-92-3
MolecularFormula:
C8H7FO2
MolecularWeight:
154.1383832
MdlNumber:
MFCD09055140
Smiles:
CC(=O)c1cccc(c1O)F
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1