AE79316
1219130-56-9 | 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoquinolin-1-one
Manufacturer: A2B Chem
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CatalogNumber
AE79316
ChemicalName
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoquinolin-1-one
CasNumber
1219130-56-9
MolecularFormula
C15H18BNO3
MolecularWeight
271.1193
MdlNumber
MFCD18426474
Smiles
O=c1[nH]ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity
430
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AE79316
ChemicalName: 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoquinolin-1-one
CasNumber: 1219130-56-9
MolecularFormula: C15H18BNO3
MolecularWeight: 271.1193
MdlNumber: MFCD18426474
Smiles: O=c1[nH]ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity: 430
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AE79316
ChemicalName:
6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-isoquinolin-1-one
CasNumber:
1219130-56-9
MolecularFormula:
C15H18BNO3
MolecularWeight:
271.1193
MdlNumber:
MFCD18426474
Smiles:
O=c1[nH]ccc2c1ccc(c2)B1OC(C(O1)(C)C)(C)C
Complexity:
430
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(COc1ccc(c2c1cccc2)O)CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H].Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(COc1ccc(c2c1cccc2)O)CNC(C([2H])([2H])[2H])(C([2H])([2H])[2H])[2H].Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [13CH3][Se]CC[C@@H](C(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[13CH3][Se]CC[C@@H](C(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AE79319
ChemicalName: (E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester
CasNumber: 1218790-51-2
MolecularFormula: C18H22BNO4
MolecularWeight: 327.1826
MdlNumber: MFCD11113044
Smiles: CCOC(=O)/C(=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/C#N
Complexity: 537
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 5
CatalogNumber:
AE79319
ChemicalName:
(E)-4-(2-Cyano-3-ethoxy-3-oxoprop-1-enyl)phenylboronic acid, pinacol ester
CasNumber:
1218790-51-2
MolecularFormula:
C18H22BNO4
MolecularWeight:
327.1826
MdlNumber:
MFCD11113044
Smiles:
CCOC(=O)/C(=C/c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)/C#N
Complexity:
537
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
5