AB65426
39911-29-0 | 3-Nitro-4-piperidinobenzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB65426
ChemicalName
3-Nitro-4-piperidinobenzaldehyde
CasNumber
39911-29-0
MolecularFormula
C12H14N2O3
MolecularWeight
234.2511600000001
MdlNumber
MFCD00831780
Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Complexity
284
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.2
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CatalogNumber: AB65426
ChemicalName: 3-Nitro-4-piperidinobenzaldehyde
CasNumber: 39911-29-0
MolecularFormula: C12H14N2O3
MolecularWeight: 234.2511600000001
MdlNumber: MFCD00831780
Smiles: O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Complexity: 284
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB65426
ChemicalName:
3-Nitro-4-piperidinobenzaldehyde
CasNumber:
39911-29-0
MolecularFormula:
C12H14N2O3
MolecularWeight:
234.2511600000001
MdlNumber:
MFCD00831780
Smiles:
O=Cc1ccc(c(c1)[N+](=O)[O-])N1CCCCC1
Complexity:
284
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.2
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
RotatableBondCount: 1
Xlogp3: __
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
RotatableBondCount:
1
Xlogp3:
__
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
RotatableBondCount: 1
Xlogp3: 2.2
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
RotatableBondCount:
1
Xlogp3:
2.2
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
RotatableBondCount: __
Xlogp3: 2.3
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
RotatableBondCount:
__
Xlogp3:
2.3