AE20254
1072944-51-4 | 4-Hydroxy-1-(2-nitro-5-trifluoromethylphenyl)piperidine
Manufacturer: A2B Chem
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CatalogNumber
AE20254
ChemicalName
4-Hydroxy-1-(2-nitro-5-trifluoromethylphenyl)piperidine
CasNumber
1072944-51-4
MolecularFormula
C12H13F3N2O3
MolecularWeight
290.2384
MdlNumber
MFCD11504892
Smiles
OC1CCN(CC1)c1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity
351
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.6
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CatalogNumber: AE20254
ChemicalName: 4-Hydroxy-1-(2-nitro-5-trifluoromethylphenyl)piperidine
CasNumber: 1072944-51-4
MolecularFormula: C12H13F3N2O3
MolecularWeight: 290.2384
MdlNumber: MFCD11504892
Smiles: OC1CCN(CC1)c1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity: 351
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.6
CatalogNumber:
AE20254
ChemicalName:
4-Hydroxy-1-(2-nitro-5-trifluoromethylphenyl)piperidine
CasNumber:
1072944-51-4
MolecularFormula:
C12H13F3N2O3
MolecularWeight:
290.2384
MdlNumber:
MFCD11504892
Smiles:
OC1CCN(CC1)c1cc(ccc1[N+](=O)[O-])C(F)(F)F
Complexity:
351
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.6
CatalogNumber: AE20255
ChemicalName: 2-Cyclopropylamino-5-methyl-3-nitropyridine
CasNumber: 1033202-65-1
MolecularFormula: C9H11N3O2
MolecularWeight: 193.2025
MdlNumber: MFCD10699715
Smiles: Cc1cnc(c(c1)[N+](=O)[O-])NC1CC1
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AE20255
ChemicalName:
2-Cyclopropylamino-5-methyl-3-nitropyridine
CasNumber:
1033202-65-1
MolecularFormula:
C9H11N3O2
MolecularWeight:
193.2025
MdlNumber:
MFCD10699715
Smiles:
Cc1cnc(c(c1)[N+](=O)[O-])NC1CC1
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AE20256
ChemicalName: 5-Bromo-2-trifluoromethoxyphenylboronic acid
CasNumber: 1072951-56-4
MolecularFormula: C7H5BBrF3O3
MolecularWeight: 284.823
MdlNumber: MFCD11504857
Smiles: Brc1ccc(c(c1)B(O)O)OC(F)(F)F
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AE20256
ChemicalName:
5-Bromo-2-trifluoromethoxyphenylboronic acid
CasNumber:
1072951-56-4
MolecularFormula:
C7H5BBrF3O3
MolecularWeight:
284.823
MdlNumber:
MFCD11504857
Smiles:
Brc1ccc(c(c1)B(O)O)OC(F)(F)F
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AE20257
ChemicalName: 5-Amino-1-(3-bromophenyl)-4-cyano-3-methylpyrazole
CasNumber: 1072944-89-8
MolecularFormula: C11H9BrN4
MolecularWeight: 277.12
MdlNumber: MFCD11504941
Smiles: N#Cc1c(C)nn(c1N)c1cccc(c1)Br
Complexity: 300
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.9
CatalogNumber:
AE20257
ChemicalName:
5-Amino-1-(3-bromophenyl)-4-cyano-3-methylpyrazole
CasNumber:
1072944-89-8
MolecularFormula:
C11H9BrN4
MolecularWeight:
277.12
MdlNumber:
MFCD11504941
Smiles:
N#Cc1c(C)nn(c1N)c1cccc(c1)Br
Complexity:
300
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.9