AB50219
1044872-40-3 | Methyl 2-Amino-4,6-dichloro-nicotinate
Manufacturer: A2B Chem
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CatalogNumber
AB50219
ChemicalName
Methyl 2-Amino-4,6-dichloro-nicotinate
CasNumber
1044872-40-3
MolecularFormula
C7H6Cl2N2O2
MolecularWeight
221.0407
MdlNumber
MFCD16660199
Smiles
COC(=O)c1c(Cl)cc(nc1N)Cl
Complexity
203
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AB50219
ChemicalName: Methyl 2-Amino-4,6-dichloro-nicotinate
CasNumber: 1044872-40-3
MolecularFormula: C7H6Cl2N2O2
MolecularWeight: 221.0407
MdlNumber: MFCD16660199
Smiles: COC(=O)c1c(Cl)cc(nc1N)Cl
Complexity: 203
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AB50219
ChemicalName:
Methyl 2-Amino-4,6-dichloro-nicotinate
CasNumber:
1044872-40-3
MolecularFormula:
C7H6Cl2N2O2
MolecularWeight:
221.0407
MdlNumber:
MFCD16660199
Smiles:
COC(=O)c1c(Cl)cc(nc1N)Cl
Complexity:
203
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AB50220
ChemicalName: 4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber: 340736-76-7
MolecularFormula: C10H5F3N2O3
MolecularWeight: 258.1535
MdlNumber: MFCD16659622
Smiles: OC(=O)c1ccc(cc1)c1noc(n1)C(F)(F)F
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.2
CatalogNumber:
AB50220
ChemicalName:
4-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid
CasNumber:
340736-76-7
MolecularFormula:
C10H5F3N2O3
MolecularWeight:
258.1535
MdlNumber:
MFCD16659622
Smiles:
OC(=O)c1ccc(cc1)c1noc(n1)C(F)(F)F
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.2
CatalogNumber: AB50221
ChemicalName: 5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber: 34036-16-3
MolecularFormula: C9H16O3
MolecularWeight: 172.2215
MdlNumber: MFCD00086868
Smiles: CCOC(=O)CC(=O)CC(C)C
Complexity: 161
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 6
Xlogp3: 1.5
CatalogNumber:
AB50221
ChemicalName:
5-Methyl-3-oxo-hexanoic acid ethyl ester
CasNumber:
34036-16-3
MolecularFormula:
C9H16O3
MolecularWeight:
172.2215
MdlNumber:
MFCD00086868
Smiles:
CCOC(=O)CC(=O)CC(C)C
Complexity:
161
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
6
Xlogp3:
1.5
CatalogNumber: AB50222
ChemicalName: 2-Chloro-3-oxo-succinic acid diethyl ester
CasNumber: 34034-87-2
MolecularFormula: C8H11ClO5
MolecularWeight: 222.6229
MdlNumber: MFCD04114359
Smiles: CCOC(=O)C(=O)C(C(=O)OCC)Cl
Complexity: 238
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 7
Xlogp3: 1.5
CatalogNumber:
AB50222
ChemicalName:
2-Chloro-3-oxo-succinic acid diethyl ester
CasNumber:
34034-87-2
MolecularFormula:
C8H11ClO5
MolecularWeight:
222.6229
MdlNumber:
MFCD04114359
Smiles:
CCOC(=O)C(=O)C(C(=O)OCC)Cl
Complexity:
238
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
7
Xlogp3:
1.5