AB48005
854778-48-6 | 3-(Benzylthio)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48005
ChemicalName
3-(Benzylthio)phenylboronic acid
CasNumber
854778-48-6
MolecularFormula
C13H13BO2S
MolecularWeight
244.1171
MdlNumber
MFCD08060027
Smiles
OB(c1cccc(c1)SCc1ccccc1)O
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
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CatalogNumber: AB48005
ChemicalName: 3-(Benzylthio)phenylboronic acid
CasNumber: 854778-48-6
MolecularFormula: C13H13BO2S
MolecularWeight: 244.1171
MdlNumber: MFCD08060027
Smiles: OB(c1cccc(c1)SCc1ccccc1)O
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
CatalogNumber:
AB48005
ChemicalName:
3-(Benzylthio)phenylboronic acid
CasNumber:
854778-48-6
MolecularFormula:
C13H13BO2S
MolecularWeight:
244.1171
MdlNumber:
MFCD08060027
Smiles:
OB(c1cccc(c1)SCc1ccccc1)O
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
CatalogNumber: AB48006
ChemicalName: 2-Bromo-5-chloro-4-fluoroaniline
CasNumber: 85462-59-5
MolecularFormula: C6H4BrClFN
MolecularWeight: 224.4581
MdlNumber: MFCD10698796
Smiles: Brc1cc(F)c(cc1N)Cl
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AB48006
ChemicalName:
2-Bromo-5-chloro-4-fluoroaniline
CasNumber:
85462-59-5
MolecularFormula:
C6H4BrClFN
MolecularWeight:
224.4581
MdlNumber:
MFCD10698796
Smiles:
Brc1cc(F)c(cc1N)Cl
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
CatalogNumber: AB48007
ChemicalName: 5-Cyano-2-methylphenylboronic acid
CasNumber: 867333-43-5
MolecularFormula: C8H8BNO2
MolecularWeight: 160.9656
MdlNumber: MFCD17015778
Smiles: N#Cc1ccc(c(c1)B(O)O)C
Complexity: 199
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB48007
ChemicalName:
5-Cyano-2-methylphenylboronic acid
CasNumber:
867333-43-5
MolecularFormula:
C8H8BNO2
MolecularWeight:
160.9656
MdlNumber:
MFCD17015778
Smiles:
N#Cc1ccc(c(c1)B(O)O)C
Complexity:
199
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
CatalogNumber: AB48008
ChemicalName: Gw2580
CasNumber: 870483-87-7
MolecularFormula: C20H22N4O3
MolecularWeight: 366.4137
MdlNumber: MFCD12024701
Smiles: COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N
Complexity: 433
Covalently-bondedUnitCount: 1
HeavyAtomCount: 27
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
CatalogNumber:
AB48008
ChemicalName:
Gw2580
CasNumber:
870483-87-7
MolecularFormula:
C20H22N4O3
MolecularWeight:
366.4137
MdlNumber:
MFCD12024701
Smiles:
COc1cc(ccc1OCc1ccc(cc1)OC)Cc1cnc(nc1N)N
Complexity:
433
Covalently-bondedUnitCount:
1
HeavyAtomCount:
27
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7