AI47879
330793-09-4 | 3-BOC-aminophenylboronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI47879
ChemicalName
3-BOC-aminophenylboronic acid, pinacol ester
CasNumber
330793-09-4
MolecularFormula
C17H26BNO4
MolecularWeight
319.2036
MdlNumber
MFCD03789256
Smiles
O=C(OC(C)(C)C)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity
428
Covalently-bondedUnitCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
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CatalogNumber: AI47879
ChemicalName: 3-BOC-aminophenylboronic acid, pinacol ester
CasNumber: 330793-09-4
MolecularFormula: C17H26BNO4
MolecularWeight: 319.2036
MdlNumber: MFCD03789256
Smiles: O=C(OC(C)(C)C)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity: 428
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
CatalogNumber:
AI47879
ChemicalName:
3-BOC-aminophenylboronic acid, pinacol ester
CasNumber:
330793-09-4
MolecularFormula:
C17H26BNO4
MolecularWeight:
319.2036
MdlNumber:
MFCD03789256
Smiles:
O=C(OC(C)(C)C)Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Complexity:
428
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
CatalogNumber: AI47880
ChemicalName: 2-(4-Bromophenoxy)benzonitrile
CasNumber: 330793-13-0
MolecularFormula: C13H8BrNO
MolecularWeight: 274.1127
MdlNumber: MFCD10564769
Smiles: N#Cc1ccccc1Oc1ccc(cc1)Br
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
CatalogNumber:
AI47880
ChemicalName:
2-(4-Bromophenoxy)benzonitrile
CasNumber:
330793-13-0
MolecularFormula:
C13H8BrNO
MolecularWeight:
274.1127
MdlNumber:
MFCD10564769
Smiles:
N#Cc1ccccc1Oc1ccc(cc1)Br
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(cc1)Nc1nc2c(n1C)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(cc1)Nc1nc2c(n1C)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC1(C)OB(OC1(C)C)c1ccc(cc1)Nc1nc2c(o1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)c1ccc(cc1)Nc1nc2c(o1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__