AA13733
1141878-45-6 | 1-(Tetrahydropyran-2-yl)-3-(trifluoromethyl)pyrazole-5-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA13733
ChemicalName
1-(Tetrahydropyran-2-yl)-3-(trifluoromethyl)pyrazole-5-boronic acid
CasNumber
1141878-45-6
MolecularFormula
C9H12BF3N2O3
MolecularWeight
264.0094
MdlNumber
MFCD17214248
Smiles
OB(c1cc(nn1C1CCCCO1)C(F)(F)F)O
Complexity
293
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
2
UndefinedAtomStereocenterCount
1
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CatalogNumber: AA13733
ChemicalName: 1-(Tetrahydropyran-2-yl)-3-(trifluoromethyl)pyrazole-5-boronic acid
CasNumber: 1141878-45-6
MolecularFormula: C9H12BF3N2O3
MolecularWeight: 264.0094
MdlNumber: MFCD17214248
Smiles: OB(c1cc(nn1C1CCCCO1)C(F)(F)F)O
Complexity: 293
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 2
UndefinedAtomStereocenterCount: 1
CatalogNumber:
AA13733
ChemicalName:
1-(Tetrahydropyran-2-yl)-3-(trifluoromethyl)pyrazole-5-boronic acid
CasNumber:
1141878-45-6
MolecularFormula:
C9H12BF3N2O3
MolecularWeight:
264.0094
MdlNumber:
MFCD17214248
Smiles:
OB(c1cc(nn1C1CCCCO1)C(F)(F)F)O
Complexity:
293
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
2
UndefinedAtomStereocenterCount:
1
CatalogNumber: __
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Smiles: NCC1(OC(=O)N(c2c1cc(Br)cc2)Cc1ccc(cc1)OC)C(F)(F)F
Complexity: __
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Smiles:
NCC1(OC(=O)N(c2c1cc(Br)cc2)Cc1ccc(cc1)OC)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
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HydrogenBondDonorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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MolecularFormula: __
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Smiles: OCC1(OC(=O)N(c2c1cc(Br)cc2)Cc1ccc(cc1)OC)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
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RotatableBondCount: __
UndefinedAtomStereocenterCount: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
OCC1(OC(=O)N(c2c1cc(Br)cc2)Cc1ccc(cc1)OC)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
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ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)C(C(=O)OC)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)C(C(=O)OC)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__