AA54523
1218790-01-2 | 2-(4-Methoxybenzylamino)pyrimidine-5-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54523
ChemicalName
2-(4-Methoxybenzylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber
1218790-01-2
MolecularFormula
C18H24BN3O3
MolecularWeight
341.2125
MdlNumber
MFCD15143596
Smiles
COc1ccc(cc1)CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity
417
Covalently-bondedUnitCount
1
HeavyAtomCount
25
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
5
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CatalogNumber: AA54523
ChemicalName: 2-(4-Methoxybenzylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber: 1218790-01-2
MolecularFormula: C18H24BN3O3
MolecularWeight: 341.2125
MdlNumber: MFCD15143596
Smiles: COc1ccc(cc1)CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity: 417
Covalently-bondedUnitCount: 1
HeavyAtomCount: 25
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 5
CatalogNumber:
AA54523
ChemicalName:
2-(4-Methoxybenzylamino)pyrimidine-5-boronic acid, pinacol ester
CasNumber:
1218790-01-2
MolecularFormula:
C18H24BN3O3
MolecularWeight:
341.2125
MdlNumber:
MFCD15143596
Smiles:
COc1ccc(cc1)CNc1ncc(cn1)B1OC(C(O1)(C)C)(C)C
Complexity:
417
Covalently-bondedUnitCount:
1
HeavyAtomCount:
25
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1cnc(nc1)NCc1ccco1
Complexity: 370
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1cnc(nc1)NCc1ccco1
Complexity:
370
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AA54525
ChemicalName: 2-(Aminocarbonylmethyl)phenylboronic acid, pinacol ester
CasNumber: 1218789-98-0
MolecularFormula: C14H20BNO3
MolecularWeight: 261.1245
MdlNumber: MFCD12913986
Smiles: NC(=O)Cc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AA54525
ChemicalName:
2-(Aminocarbonylmethyl)phenylboronic acid, pinacol ester
CasNumber:
1218789-98-0
MolecularFormula:
C14H20BNO3
MolecularWeight:
261.1245
MdlNumber:
MFCD12913986
Smiles:
NC(=O)Cc1ccccc1B1OC(C(O1)(C)C)(C)C
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AA54526
ChemicalName: 3-Acetamido-4-carboxyphenylboronic acid, pinacol ester
CasNumber: 1218789-96-8
MolecularFormula: C15H20BNO5
MolecularWeight: 305.134
MdlNumber: MFCD13195757
Smiles: CC(=O)Nc1cc(ccc1C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity: 449
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AA54526
ChemicalName:
3-Acetamido-4-carboxyphenylboronic acid, pinacol ester
CasNumber:
1218789-96-8
MolecularFormula:
C15H20BNO5
MolecularWeight:
305.134
MdlNumber:
MFCD13195757
Smiles:
CC(=O)Nc1cc(ccc1C(=O)O)B1OC(C(O1)(C)C)(C)C
Complexity:
449
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
3