AB44365
857530-80-4 | 3,5-Dimethylpyrazole-4-boronic acid, pinacol ester
Manufacturer: A2B Chem
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CatalogNumber
AB44365
ChemicalName
3,5-Dimethylpyrazole-4-boronic acid, pinacol ester
CasNumber
857530-80-4
MolecularFormula
C11H19BN2O2
MolecularWeight
222.0918
MdlNumber
MFCD05663852
Smiles
Cc1[nH]nc(c1B1OC(C(O1)(C)C)(C)C)C
Complexity
267
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
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CatalogNumber: AB44365
ChemicalName: 3,5-Dimethylpyrazole-4-boronic acid, pinacol ester
CasNumber: 857530-80-4
MolecularFormula: C11H19BN2O2
MolecularWeight: 222.0918
MdlNumber: MFCD05663852
Smiles: Cc1[nH]nc(c1B1OC(C(O1)(C)C)(C)C)C
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
CatalogNumber:
AB44365
ChemicalName:
3,5-Dimethylpyrazole-4-boronic acid, pinacol ester
CasNumber:
857530-80-4
MolecularFormula:
C11H19BN2O2
MolecularWeight:
222.0918
MdlNumber:
MFCD05663852
Smiles:
Cc1[nH]nc(c1B1OC(C(O1)(C)C)(C)C)C
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
CatalogNumber: AB44366
ChemicalName: 3,5-Dinitrobenzonitrile
CasNumber: 4110-35-4
MolecularFormula: C7H3N3O4
MolecularWeight: 193.1164
MdlNumber: MFCD00007228
Smiles: N#Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity: 274
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
AB44366
ChemicalName:
3,5-Dinitrobenzonitrile
CasNumber:
4110-35-4
MolecularFormula:
C7H3N3O4
MolecularWeight:
193.1164
MdlNumber:
MFCD00007228
Smiles:
N#Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Complexity:
274
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=N(=O)c1cc(cc(c1)C(F)(F)F)N(=O)=O
Complexity: 274
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=N(=O)c1cc(cc(c1)C(F)(F)F)N(=O)=O
Complexity:
274
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
CatalogNumber: AB44368
ChemicalName: 3,5-Dinitrosalicylic acid
CasNumber: 609-99-4
MolecularFormula: C7H4N2O7
MolecularWeight: 228.1159
MdlNumber: MFCD00149501
Smiles: [O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])O
Complexity: 320
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 1
CatalogNumber:
AB44368
ChemicalName:
3,5-Dinitrosalicylic acid
CasNumber:
609-99-4
MolecularFormula:
C7H4N2O7
MolecularWeight:
228.1159
MdlNumber:
MFCD00149501
Smiles:
[O-][N+](=O)c1cc(C(=O)O)c(c(c1)[N+](=O)[O-])O
Complexity:
320
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
1