AI38065
1629148-48-6 | 2-(Hydroxymethyl)-4-(trifluoromethyl)phenylboronic acid
Manufacturer: A2B Chem
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CatalogNumber
AI38065
ChemicalName
2-(Hydroxymethyl)-4-(trifluoromethyl)phenylboronic acid
CasNumber
1629148-48-6
MolecularFormula
C8H8BF3O3
MolecularWeight
219.95352959999997
MdlNumber
MFCD22574938
Smiles
OCc1cc(ccc1B(O)O)C(F)(F)F
Complexity
210
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
3
RotatableBondCount
2
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CatalogNumber: AI38065
ChemicalName: 2-(Hydroxymethyl)-4-(trifluoromethyl)phenylboronic acid
CasNumber: 1629148-48-6
MolecularFormula: C8H8BF3O3
MolecularWeight: 219.95352959999997
MdlNumber: MFCD22574938
Smiles: OCc1cc(ccc1B(O)O)C(F)(F)F
Complexity: 210
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 3
RotatableBondCount: 2
CatalogNumber:
AI38065
ChemicalName:
2-(Hydroxymethyl)-4-(trifluoromethyl)phenylboronic acid
CasNumber:
1629148-48-6
MolecularFormula:
C8H8BF3O3
MolecularWeight:
219.95352959999997
MdlNumber:
MFCD22574938
Smiles:
OCc1cc(ccc1B(O)O)C(F)(F)F
Complexity:
210
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
3
RotatableBondCount:
2
CatalogNumber: __
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Smiles: CCC(C(=O)[O-])O.[Na+]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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Smiles:
CCC(C(=O)[O-])O.[Na+]
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: NC(=O)c1cc(Cl)c(cc1[N+](=O)[O-])Br
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Smiles:
NC(=O)c1cc(Cl)c(cc1[N+](=O)[O-])Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Ic1cnc(c(c1)C(=O)N)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1cnc(c(c1)C(=O)N)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__