AA54513
1218789-38-8 | 4-(1-Aminocyclopropyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AA54513
ChemicalName
4-(1-Aminocyclopropyl)phenylboronic acid, pinacol ester
CasNumber
1218789-38-8
MolecularFormula
C15H22BNO2
MolecularWeight
259.1517
MdlNumber
MFCD12546572
Smiles
CC1(C)OB(OC1(C)C)c1ccc(cc1)C1(N)CC1
Complexity
341
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AA54513
ChemicalName: 4-(1-Aminocyclopropyl)phenylboronic acid, pinacol ester
CasNumber: 1218789-38-8
MolecularFormula: C15H22BNO2
MolecularWeight: 259.1517
MdlNumber: MFCD12546572
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)C1(N)CC1
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AA54513
ChemicalName:
4-(1-Aminocyclopropyl)phenylboronic acid, pinacol ester
CasNumber:
1218789-38-8
MolecularFormula:
C15H22BNO2
MolecularWeight:
259.1517
MdlNumber:
MFCD12546572
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)C1(N)CC1
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: AA54514
ChemicalName: 5-Fluoro-2-(methoxycarbonyl)pyridine-4-boronic acid, pinacol ester
CasNumber: 1218790-18-1
MolecularFormula: C13H17BFNO4
MolecularWeight: 281.0878
MdlNumber: MFCD13195767
Smiles: COC(=O)c1ncc(c(c1)B1OC(C(O1)(C)C)(C)C)F
Complexity: 375
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AA54514
ChemicalName:
5-Fluoro-2-(methoxycarbonyl)pyridine-4-boronic acid, pinacol ester
CasNumber:
1218790-18-1
MolecularFormula:
C13H17BFNO4
MolecularWeight:
281.0878
MdlNumber:
MFCD13195767
Smiles:
COC(=O)c1ncc(c(c1)B1OC(C(O1)(C)C)(C)C)F
Complexity:
375
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: AA54515
ChemicalName: 2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester
CasNumber: 1218790-17-0
MolecularFormula: C15H20BFO4
MolecularWeight: 294.1263
MdlNumber: MFCD13195766
Smiles: COC(=O)c1cc(B2OC(C(O2)(C)C)(C)C)c(cc1C)F
Complexity: 397
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
CatalogNumber:
AA54515
ChemicalName:
2-Fluoro-5-(methoxycarbonyl)-4-methylphenylboronic acid, pinacol ester
CasNumber:
1218790-17-0
MolecularFormula:
C15H20BFO4
MolecularWeight:
294.1263
MdlNumber:
MFCD13195766
Smiles:
COC(=O)c1cc(B2OC(C(O2)(C)C)(C)C)c(cc1C)F
Complexity:
397
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
CatalogNumber: AA54516
ChemicalName: 3-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
CasNumber: 1218790-15-8
MolecularFormula: C13H14BClFNO2
MolecularWeight: 281.5182
MdlNumber: MFCD15143597
Smiles: N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)Cl)F
Complexity: 393
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AA54516
ChemicalName:
3-Chloro-5-cyano-2-fluorophenylboronic acid, pinacol ester
CasNumber:
1218790-15-8
MolecularFormula:
C13H14BClFNO2
MolecularWeight:
281.5182
MdlNumber:
MFCD15143597
Smiles:
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)Cl)F
Complexity:
393
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1