AA54612
1218790-73-8 | 1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid
Manufacturer: A2B Chem
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CatalogNumber
AA54612
ChemicalName
1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid
CasNumber
1218790-73-8
MolecularFormula
C6H8BF3N2O3
MolecularWeight
223.9455
MdlNumber
MFCD15143477
Smiles
COCn1cc(c(n1)C(F)(F)F)B(O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
3
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CatalogNumber: AA54612
ChemicalName: 1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid
CasNumber: 1218790-73-8
MolecularFormula: C6H8BF3N2O3
MolecularWeight: 223.9455
MdlNumber: MFCD15143477
Smiles: COCn1cc(c(n1)C(F)(F)F)B(O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
CatalogNumber:
AA54612
ChemicalName:
1-(Methoxymethyl)-3-(trifluoromethyl)pyrazole-4-boronic acid
CasNumber:
1218790-73-8
MolecularFormula:
C6H8BF3N2O3
MolecularWeight:
223.9455
MdlNumber:
MFCD15143477
Smiles:
COCn1cc(c(n1)C(F)(F)F)B(O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N(c1ccccc1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
O=C(N(c1ccccc1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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CatalogNumber: AA54614
ChemicalName: 5-Cyano-2-nitrophenylboronic acid, pinacol ester
CasNumber: 1218791-27-5
MolecularFormula: C13H15BN2O4
MolecularWeight: 274.0802
MdlNumber: MFCD12546471
Smiles: N#Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity: 435
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 1
CatalogNumber:
AA54614
ChemicalName:
5-Cyano-2-nitrophenylboronic acid, pinacol ester
CasNumber:
1218791-27-5
MolecularFormula:
C13H15BN2O4
MolecularWeight:
274.0802
MdlNumber:
MFCD12546471
Smiles:
N#Cc1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-]
Complexity:
435
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-])(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(c1ccc(c(c1)B1OC(C(O1)(C)C)(C)C)[N+](=O)[O-])(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__