AI51008
486422-08-6 | 3-Boronobenzenesulfonamide, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI51008
ChemicalName
3-Boronobenzenesulfonamide, pinacol ester
CasNumber
486422-08-6
MolecularFormula
C12H18BNO4S
MolecularWeight
283.15162000000004
MdlNumber
MFCD07781217
Smiles
CC1(C)OB(OC1(C)C)c1cccc(c1)S(=O)(=O)N
Complexity
427
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
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CatalogNumber: AI51008
ChemicalName: 3-Boronobenzenesulfonamide, pinacol ester
CasNumber: 486422-08-6
MolecularFormula: C12H18BNO4S
MolecularWeight: 283.15162000000004
MdlNumber: MFCD07781217
Smiles: CC1(C)OB(OC1(C)C)c1cccc(c1)S(=O)(=O)N
Complexity: 427
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
CatalogNumber:
AI51008
ChemicalName:
3-Boronobenzenesulfonamide, pinacol ester
CasNumber:
486422-08-6
MolecularFormula:
C12H18BNO4S
MolecularWeight:
283.15162000000004
MdlNumber:
MFCD07781217
Smiles:
CC1(C)OB(OC1(C)C)c1cccc(c1)S(=O)(=O)N
Complexity:
427
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)c1cccc(c1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)c1cccc(c1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AI51011
ChemicalName: 3-(4-Methylphenyl)phenol
CasNumber: 486455-30-5
MolecularFormula: C13H12O
MolecularWeight: 184.2338
MdlNumber: MFCD06802317
Smiles: CC1=CC=C(C=C1)C2=CC(=CC=C2)O
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AI51011
ChemicalName:
3-(4-Methylphenyl)phenol
CasNumber:
486455-30-5
MolecularFormula:
C13H12O
MolecularWeight:
184.2338
MdlNumber:
MFCD06802317
Smiles:
CC1=CC=C(C=C1)C2=CC(=CC=C2)O
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](Cc1cc(F)c(cc1F)F)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](Cc1cc(F)c(cc1F)F)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__