AB65427
1032758-80-7 | 2-Amino-3-nitropyridine-5-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB65427
ChemicalName
2-Amino-3-nitropyridine-5-boronic acid, pinacol ester
CasNumber
1032758-80-7
MolecularFormula
C11H16BN3O4
MolecularWeight
265.0734
MdlNumber
MFCD11867866
Smiles
[O-][N+](=O)c1cc(cnc1N)B1OC(C(O1)(C)C)(C)C
Complexity
355
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AB65427
ChemicalName: 2-Amino-3-nitropyridine-5-boronic acid, pinacol ester
CasNumber: 1032758-80-7
MolecularFormula: C11H16BN3O4
MolecularWeight: 265.0734
MdlNumber: MFCD11867866
Smiles: [O-][N+](=O)c1cc(cnc1N)B1OC(C(O1)(C)C)(C)C
Complexity: 355
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB65427
ChemicalName:
2-Amino-3-nitropyridine-5-boronic acid, pinacol ester
CasNumber:
1032758-80-7
MolecularFormula:
C11H16BN3O4
MolecularWeight:
265.0734
MdlNumber:
MFCD11867866
Smiles:
[O-][N+](=O)c1cc(cnc1N)B1OC(C(O1)(C)C)(C)C
Complexity:
355
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: AB65428
ChemicalName: 3-Nitro-5-(trifluoromethyl)benzoic acid
CasNumber: 328-80-3
MolecularFormula: C8H4F3NO4
MolecularWeight: 235.1168696
MdlNumber: MFCD00024509
Smiles: OC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB65428
ChemicalName:
3-Nitro-5-(trifluoromethyl)benzoic acid
CasNumber:
328-80-3
MolecularFormula:
C8H4F3NO4
MolecularWeight:
235.1168696
MdlNumber:
MFCD00024509
Smiles:
OC(=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: AB65429
ChemicalName: 3-Nitro-5-(trifluoromethyl)phenol
CasNumber: 349-57-5
MolecularFormula: C7H4F3NO3
MolecularWeight: 207.1068
MdlNumber: MFCD04973779
Smiles: Oc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: __
CatalogNumber:
AB65429
ChemicalName:
3-Nitro-5-(trifluoromethyl)phenol
CasNumber:
349-57-5
MolecularFormula:
C7H4F3NO3
MolecularWeight:
207.1068
MdlNumber:
MFCD04973779
Smiles:
Oc1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#CCc1nc(OCC[Si](C)(C)C)ccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCc1nc(OCC[Si](C)(C)C)ccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__