AI35999
1447763-50-9 | 4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AI35999
ChemicalName
4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester
CasNumber
1447763-50-9
MolecularFormula
C13H21BO4
MolecularWeight
252.11443999999995
MdlNumber
MFCD27981321
Smiles
OC(=O)C1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Complexity
371
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AI35999
ChemicalName: 4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester
CasNumber: 1447763-50-9
MolecularFormula: C13H21BO4
MolecularWeight: 252.11443999999995
MdlNumber: MFCD27981321
Smiles: OC(=O)C1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Complexity: 371
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AI35999
ChemicalName:
4-(Carboxy)cyclohexene-1-boronic acid, pinacol ester
CasNumber:
1447763-50-9
MolecularFormula:
C13H21BO4
MolecularWeight:
252.11443999999995
MdlNumber:
MFCD27981321
Smiles:
OC(=O)C1CCC(=CC1)B1OC(C(O1)(C)C)(C)C
Complexity:
371
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(c(c1)B(O)O)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cc1ccc(c(c1)B(O)O)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1csc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1csc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
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CatalogNumber: AI36003
ChemicalName: (5-Trifluoromethyl-thiophen-3-yl)-methanol
CasNumber: 1447913-56-5
MolecularFormula: C6H5F3OS
MolecularWeight: 182.16350960000003
MdlNumber: MFCD28362361
Smiles: OCc1csc(c1)C(F)(F)F
Complexity: 136
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
CatalogNumber:
AI36003
ChemicalName:
(5-Trifluoromethyl-thiophen-3-yl)-methanol
CasNumber:
1447913-56-5
MolecularFormula:
C6H5F3OS
MolecularWeight:
182.16350960000003
MdlNumber:
MFCD28362361
Smiles:
OCc1csc(c1)C(F)(F)F
Complexity:
136
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__