AF88018
396652-42-9 | Methyl 4-(ethylamino)-3-nitrobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AF88018
ChemicalName
Methyl 4-(ethylamino)-3-nitrobenzoate
CasNumber
396652-42-9
MolecularFormula
C10H12N2O4
MolecularWeight
224.2133
MdlNumber
MFCD09862451
Smiles
CCNc1ccc(cc1[N+](=O)[O-])C(=O)OC
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.5
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CatalogNumber: AF88018
ChemicalName: Methyl 4-(ethylamino)-3-nitrobenzoate
CasNumber: 396652-42-9
MolecularFormula: C10H12N2O4
MolecularWeight: 224.2133
MdlNumber: MFCD09862451
Smiles: CCNc1ccc(cc1[N+](=O)[O-])C(=O)OC
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.5
CatalogNumber:
AF88018
ChemicalName:
Methyl 4-(ethylamino)-3-nitrobenzoate
CasNumber:
396652-42-9
MolecularFormula:
C10H12N2O4
MolecularWeight:
224.2133
MdlNumber:
MFCD09862451
Smiles:
CCNc1ccc(cc1[N+](=O)[O-])C(=O)OC
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.5
CatalogNumber: AF88019
ChemicalName: 1-(4-Methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CasNumber: 331727-49-2
MolecularFormula: C12H15N3O2
MolecularWeight: 233.2664
MdlNumber: MFCD00981129
Smiles: NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)C
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: -0.1
CatalogNumber:
AF88019
ChemicalName:
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CasNumber:
331727-49-2
MolecularFormula:
C12H15N3O2
MolecularWeight:
233.2664
MdlNumber:
MFCD00981129
Smiles:
NNC(=O)C1CN(C(=O)C1)c1ccc(cc1)C
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
-0.1
CatalogNumber: AF88020
ChemicalName: 5-Methyl-4-phenyl-1,3-thiazol-2-amine hydrobromide
CasNumber: 34176-31-3
MolecularFormula: C10H11BrN2S
MolecularWeight: 271.1767
MdlNumber: MFCD07330480
Smiles: Nc1sc(c(n1)c1ccccc1)C.Br
Complexity: 168
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AF88020
ChemicalName:
5-Methyl-4-phenyl-1,3-thiazol-2-amine hydrobromide
CasNumber:
34176-31-3
MolecularFormula:
C10H11BrN2S
MolecularWeight:
271.1767
MdlNumber:
MFCD07330480
Smiles:
Nc1sc(c(n1)c1ccccc1)C.Br
Complexity:
168
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AF88021
ChemicalName: 4,7-Diazaindole
CasNumber: 42430-74-0
MolecularFormula: C6H5N3
MolecularWeight: 119.124
MdlNumber: MFCD09834819
Smiles: c1nc2-c(c1)[nH]ccn2
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 0.3
CatalogNumber:
AF88021
ChemicalName:
4,7-Diazaindole
CasNumber:
42430-74-0
MolecularFormula:
C6H5N3
MolecularWeight:
119.124
MdlNumber:
MFCD09834819
Smiles:
c1nc2-c(c1)[nH]ccn2
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
0.3