AE25123
1134335-58-2 | 3-(Morpholin-4-yl)-4-nitrobenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AE25123
ChemicalName
3-(Morpholin-4-yl)-4-nitrobenzoic acid
CasNumber
1134335-58-2
MolecularFormula
C11H12N2O5
MolecularWeight
252.2234
MdlNumber
MFCD12031201
Smiles
OC(=O)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
Complexity
324
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.5
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CatalogNumber: AE25123
ChemicalName: 3-(Morpholin-4-yl)-4-nitrobenzoic acid
CasNumber: 1134335-58-2
MolecularFormula: C11H12N2O5
MolecularWeight: 252.2234
MdlNumber: MFCD12031201
Smiles: OC(=O)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
Complexity: 324
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.5
CatalogNumber:
AE25123
ChemicalName:
3-(Morpholin-4-yl)-4-nitrobenzoic acid
CasNumber:
1134335-58-2
MolecularFormula:
C11H12N2O5
MolecularWeight:
252.2234
MdlNumber:
MFCD12031201
Smiles:
OC(=O)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
Complexity:
324
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.5
CatalogNumber: AE25124
ChemicalName: N-(4-Nitrobenzyl)ethanamine HCl
CasNumber: 1158452-11-9
MolecularFormula: C9H13ClN2O2
MolecularWeight: 216.6647
MdlNumber: MFCD07109772
Smiles: CCNCc1ccc(cc1)[N+](=O)[O-].Cl
Complexity: 160
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AE25124
ChemicalName:
N-(4-Nitrobenzyl)ethanamine HCl
CasNumber:
1158452-11-9
MolecularFormula:
C9H13ClN2O2
MolecularWeight:
216.6647
MdlNumber:
MFCD07109772
Smiles:
CCNCc1ccc(cc1)[N+](=O)[O-].Cl
Complexity:
160
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: AE25125
ChemicalName: 1-Cyclopentyl-4-iodo-1H-pyrazole
CasNumber: 1194377-14-4
MolecularFormula: C8H11IN2
MolecularWeight: 262.0908
MdlNumber: MFCD13176539
Smiles: Ic1cnn(c1)C1CCCC1
Complexity: 134
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AE25125
ChemicalName:
1-Cyclopentyl-4-iodo-1H-pyrazole
CasNumber:
1194377-14-4
MolecularFormula:
C8H11IN2
MolecularWeight:
262.0908
MdlNumber:
MFCD13176539
Smiles:
Ic1cnn(c1)C1CCCC1
Complexity:
134
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AE25126
ChemicalName: tert-Butyl 5-bromo-2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate
CasNumber: 1111638-13-1
MolecularFormula: C12H15BrN2O2
MolecularWeight: 299.1637
MdlNumber: MFCD24448794
Smiles: Brc1cnc2c(c1)CCN2C(=O)OC(C)(C)C
Complexity: 303
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.7
CatalogNumber:
AE25126
ChemicalName:
tert-Butyl 5-bromo-2H,3H-pyrrolo[2,3-b]pyridine-1-carboxylate
CasNumber:
1111638-13-1
MolecularFormula:
C12H15BrN2O2
MolecularWeight:
299.1637
MdlNumber:
MFCD24448794
Smiles:
Brc1cnc2c(c1)CCN2C(=O)OC(C)(C)C
Complexity:
303
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.7