AA54554
1218790-29-4 | 4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54554
ChemicalName
4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester
CasNumber
1218790-29-4
MolecularFormula
C15H20BNO4
MolecularWeight
289.1346
MdlNumber
MFCD15143610
Smiles
O=C1COc2c(N1C)cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity
423
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
4
RotatableBondCount
1
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CatalogNumber: AA54554
ChemicalName: 4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester
CasNumber: 1218790-29-4
MolecularFormula: C15H20BNO4
MolecularWeight: 289.1346
MdlNumber: MFCD15143610
Smiles: O=C1COc2c(N1C)cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity: 423
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
CatalogNumber:
AA54554
ChemicalName:
4-Methyl-1,4-benzoxazin-3-one-6-boronic acid, pinacol ester
CasNumber:
1218790-29-4
MolecularFormula:
C15H20BNO4
MolecularWeight:
289.1346
MdlNumber:
MFCD15143610
Smiles:
O=C1COc2c(N1C)cc(cc2)B1OC(C(O1)(C)C)(C)C
Complexity:
423
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
CatalogNumber: AA54555
ChemicalName: 3,5-Dichloro-4-isopropoxyphenylboronic acid, pinacol ester
CasNumber: 1218790-28-3
MolecularFormula: C15H21BCl2O3
MolecularWeight: 331.0424
MdlNumber: MFCD15143609
Smiles: CC(Oc1c(Cl)cc(cc1Cl)B1OC(C(O1)(C)C)(C)C)C
Complexity: 348
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
CatalogNumber:
AA54555
ChemicalName:
3,5-Dichloro-4-isopropoxyphenylboronic acid, pinacol ester
CasNumber:
1218790-28-3
MolecularFormula:
C15H21BCl2O3
MolecularWeight:
331.0424
MdlNumber:
MFCD15143609
Smiles:
CC(Oc1c(Cl)cc(cc1Cl)B1OC(C(O1)(C)C)(C)C)C
Complexity:
348
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
CatalogNumber: AA54556
ChemicalName: 1-BOC-6-Bromoindole-3-boronic acid, pinacol ester
CasNumber: 1218790-27-2
MolecularFormula: C19H25BBrNO4
MolecularWeight: 422.1211
MdlNumber: MFCD15143608
Smiles: Brc1ccc2c(c1)n(cc2B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Complexity: 546
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
CatalogNumber:
AA54556
ChemicalName:
1-BOC-6-Bromoindole-3-boronic acid, pinacol ester
CasNumber:
1218790-27-2
MolecularFormula:
C19H25BBrNO4
MolecularWeight:
422.1211
MdlNumber:
MFCD15143608
Smiles:
Brc1ccc2c(c1)n(cc2B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Complexity:
546
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
CatalogNumber: AA54557
ChemicalName: 1-BOC-7-Methoxyindole-3-boronic acid, pinacol ester
CasNumber: 1218790-26-1
MolecularFormula: C20H28BNO5
MolecularWeight: 373.251
MdlNumber: MFCD14155739
Smiles: COc1cccc2c1n(cc2B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Complexity: 557
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
CatalogNumber:
AA54557
ChemicalName:
1-BOC-7-Methoxyindole-3-boronic acid, pinacol ester
CasNumber:
1218790-26-1
MolecularFormula:
C20H28BNO5
MolecularWeight:
373.251
MdlNumber:
MFCD14155739
Smiles:
COc1cccc2c1n(cc2B1OC(C(O1)(C)C)(C)C)C(=O)OC(C)(C)C
Complexity:
557
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4