AI39536
1793003-77-6 | 4-[Hydroxy(4-methylphenyl)methyl]phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI39536
ChemicalName
4-[Hydroxy(4-methylphenyl)methyl]phenylboronic acid
CasNumber
1793003-77-6
MolecularFormula
C14H15BO3
MolecularWeight
242.0781
MdlNumber
MFCD22205754
Smiles
Cc1ccc(cc1)C(c1ccc(cc1)B(O)O)O
Complexity
243
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
3
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI39536
ChemicalName: 4-[Hydroxy(4-methylphenyl)methyl]phenylboronic acid
CasNumber: 1793003-77-6
MolecularFormula: C14H15BO3
MolecularWeight: 242.0781
MdlNumber: MFCD22205754
Smiles: Cc1ccc(cc1)C(c1ccc(cc1)B(O)O)O
Complexity: 243
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI39536
ChemicalName:
4-[Hydroxy(4-methylphenyl)methyl]phenylboronic acid
CasNumber:
1793003-77-6
MolecularFormula:
C14H15BO3
MolecularWeight:
242.0781
MdlNumber:
MFCD22205754
Smiles:
Cc1ccc(cc1)C(c1ccc(cc1)B(O)O)O
Complexity:
243
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
CatalogNumber: AI39537
ChemicalName: 3-Butoxy-5-chloro-4-isopropoxyphenylboronic acid
CasNumber: 1793003-79-8
MolecularFormula: C13H20BClO4
MolecularWeight: 286.5595
MdlNumber: MFCD21332928
Smiles: CCCCOc1cc(cc(c1OC(C)C)Cl)B(O)O
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 7
UndefinedAtomStereocenterCount: __
CatalogNumber:
AI39537
ChemicalName:
3-Butoxy-5-chloro-4-isopropoxyphenylboronic acid
CasNumber:
1793003-79-8
MolecularFormula:
C13H20BClO4
MolecularWeight:
286.5595
MdlNumber:
MFCD21332928
Smiles:
CCCCOc1cc(cc(c1OC(C)C)Cl)B(O)O
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
7
UndefinedAtomStereocenterCount:
__
CatalogNumber: AI39538
ChemicalName: 3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid
CasNumber: 1793003-82-3
MolecularFormula: C9H9BF4O4
MolecularWeight: 267.97
MdlNumber: MFCD21609533
Smiles: CCOc1cc(cc(c1F)B(O)O)OC(F)(F)F
Complexity: 263
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
CatalogNumber:
AI39538
ChemicalName:
3-Ethoxy-2-fluoro-5-(trifluoromethoxy)phenylboronic acid
CasNumber:
1793003-82-3
MolecularFormula:
C9H9BF4O4
MolecularWeight:
267.97
MdlNumber:
MFCD21609533
Smiles:
CCOc1cc(cc(c1F)B(O)O)OC(F)(F)F
Complexity:
263
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCCCn1nncc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCCCn1nncc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__