AE62775
1400645-19-3 | Methyl 4-nitro-3-(propylamino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE62775
ChemicalName
Methyl 4-nitro-3-(propylamino)benzoate
CasNumber
1400645-19-3
MolecularFormula
C11H14N2O4
MolecularWeight
238.2399
MdlNumber
MFCD22421499
Smiles
CCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3
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CatalogNumber: AE62775
ChemicalName: Methyl 4-nitro-3-(propylamino)benzoate
CasNumber: 1400645-19-3
MolecularFormula: C11H14N2O4
MolecularWeight: 238.2399
MdlNumber: MFCD22421499
Smiles: CCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3
CatalogNumber:
AE62775
ChemicalName:
Methyl 4-nitro-3-(propylamino)benzoate
CasNumber:
1400645-19-3
MolecularFormula:
C11H14N2O4
MolecularWeight:
238.2399
MdlNumber:
MFCD22421499
Smiles:
CCCNc1cc(ccc1[N+](=O)[O-])C(=O)OC
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3
CatalogNumber: AE62776
ChemicalName: 8-Iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CasNumber: 1228666-17-8
MolecularFormula: C7H6INO2
MolecularWeight: 263.0325
MdlNumber: MFCD16628205
Smiles: Ic1ccnc2c1OCCO2
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
AE62776
ChemicalName:
8-Iodo-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CasNumber:
1228666-17-8
MolecularFormula:
C7H6INO2
MolecularWeight:
263.0325
MdlNumber:
MFCD16628205
Smiles:
Ic1ccnc2c1OCCO2
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CN1CCN(CC1)c1ccc(cc1)S(=O)(=O)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CN1CCN(CC1)c1ccc(cc1)S(=O)(=O)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AE62778
ChemicalName: 4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
CasNumber: 1244855-76-2
MolecularFormula: C11H11ClIN3O2
MolecularWeight: 379.5814
MdlNumber: MFCD20922795
Smiles: O=C(n1cc(c2c1ncnc2Cl)I)OC(C)(C)C
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AE62778
ChemicalName:
4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
CasNumber:
1244855-76-2
MolecularFormula:
C11H11ClIN3O2
MolecularWeight:
379.5814
MdlNumber:
MFCD20922795
Smiles:
O=C(n1cc(c2c1ncnc2Cl)I)OC(C)(C)C
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.5