AB47841
827614-68-6 | 4-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB47841
ChemicalName
4-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester
CasNumber
827614-68-6
MolecularFormula
C16H22BNO3
MolecularWeight
287.1618
MdlNumber
MFCD05663848
Smiles
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1CC1
Complexity
396
Covalently-bondedUnitCount
1
HeavyAtomCount
21
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
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CatalogNumber: AB47841
ChemicalName: 4-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester
CasNumber: 827614-68-6
MolecularFormula: C16H22BNO3
MolecularWeight: 287.1618
MdlNumber: MFCD05663848
Smiles: O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1CC1
Complexity: 396
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
CatalogNumber:
AB47841
ChemicalName:
4-(Cyclopropylaminocarbonyl)phenylboronic acid, pinacol ester
CasNumber:
827614-68-6
MolecularFormula:
C16H22BNO3
MolecularWeight:
287.1618
MdlNumber:
MFCD05663848
Smiles:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)NC1CC1
Complexity:
396
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
CatalogNumber: AB47842
ChemicalName: 2-(Trifluoromethyl)pyridine-4-boronic acid pinacol ester
CasNumber: 1036990-42-7
MolecularFormula: C12H15BF3NO2
MolecularWeight: 273.0592
MdlNumber: MFCD09607678
Smiles: CC1(C)OB(OC1(C)C)c1ccnc(c1)C(F)(F)F
Complexity: 330
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AB47842
ChemicalName:
2-(Trifluoromethyl)pyridine-4-boronic acid pinacol ester
CasNumber:
1036990-42-7
MolecularFormula:
C12H15BF3NO2
MolecularWeight:
273.0592
MdlNumber:
MFCD09607678
Smiles:
CC1(C)OB(OC1(C)C)c1ccnc(c1)C(F)(F)F
Complexity:
330
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SC[C@@H](C(=O)N)NC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC[C@@H](C(=O)N)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB47844
ChemicalName: 2-Chloro-4,6-dimorpholino-1,3,5-triazine
CasNumber: 7597-22-0
MolecularFormula: C11H16ClN5O2
MolecularWeight: 285.73
MdlNumber: MFCD00432885
Smiles: Clc1nc(nc(n1)N1CCOCC1)N1CCOCC1
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AB47844
ChemicalName:
2-Chloro-4,6-dimorpholino-1,3,5-triazine
CasNumber:
7597-22-0
MolecularFormula:
C11H16ClN5O2
MolecularWeight:
285.73
MdlNumber:
MFCD00432885
Smiles:
Clc1nc(nc(n1)N1CCOCC1)N1CCOCC1
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
2