AG32825
50445-53-9 | N-Isopropyl-3-nitrobenzamide
Manufacturer: A2B Chem
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CatalogNumber
AG32825
ChemicalName
N-Isopropyl-3-nitrobenzamide
CasNumber
50445-53-9
MolecularFormula
C10H12N2O3
MolecularWeight
208.2139
MdlNumber
MFCD00458988
Smiles
CC(NC(=O)c1cccc(c1)[N+](=O)[O-])C
NscNumber
406569
Complexity
248
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.8
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CatalogNumber: AG32825
ChemicalName: N-Isopropyl-3-nitrobenzamide
CasNumber: 50445-53-9
MolecularFormula: C10H12N2O3
MolecularWeight: 208.2139
MdlNumber: MFCD00458988
Smiles: CC(NC(=O)c1cccc(c1)[N+](=O)[O-])C
NscNumber: 406569
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.8
CatalogNumber:
AG32825
ChemicalName:
N-Isopropyl-3-nitrobenzamide
CasNumber:
50445-53-9
MolecularFormula:
C10H12N2O3
MolecularWeight:
208.2139
MdlNumber:
MFCD00458988
Smiles:
CC(NC(=O)c1cccc(c1)[N+](=O)[O-])C
NscNumber:
406569
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1ccccc1c1ccc(c(c1)F)C(=O)O
NscNumber: __
Complexity: 283
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1ccccc1c1ccc(c(c1)F)C(=O)O
NscNumber:
__
Complexity:
283
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2
CatalogNumber: AG32827
ChemicalName: 4-(Piperazin-1-yl)phenylboronic acid
CasNumber: 513246-99-6
MolecularFormula: C10H15BN2O2
MolecularWeight: 206.0493
MdlNumber: MFCD09608131
Smiles: OB(c1ccc(cc1)N1CCNCC1)O
NscNumber: __
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AG32827
ChemicalName:
4-(Piperazin-1-yl)phenylboronic acid
CasNumber:
513246-99-6
MolecularFormula:
C10H15BN2O2
MolecularWeight:
206.0493
MdlNumber:
MFCD09608131
Smiles:
OB(c1ccc(cc1)N1CCNCC1)O
NscNumber:
__
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AG32828
ChemicalName: 4-(3-Aminocarbonylphenyl)phenol
CasNumber: 477549-30-7
MolecularFormula: C13H11NO2
MolecularWeight: 213.2319
MdlNumber: MFCD18312842
Smiles: Oc1ccc(cc1)c1cccc(c1)C(=O)N
NscNumber: __
Complexity: 246
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AG32828
ChemicalName:
4-(3-Aminocarbonylphenyl)phenol
CasNumber:
477549-30-7
MolecularFormula:
C13H11NO2
MolecularWeight:
213.2319
MdlNumber:
MFCD18312842
Smiles:
Oc1ccc(cc1)c1cccc(c1)C(=O)N
NscNumber:
__
Complexity:
246
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.1