AE99173
187035-79-6 | Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE99173
ChemicalName
Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
CasNumber
187035-79-6
MolecularFormula
C8H6ClF3N2O2
MolecularWeight
254.5936
MdlNumber
MFCD01312372
Smiles
CCOC(=O)c1cnc(nc1C(F)(F)F)Cl
Complexity
262
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
RotatableBondCount
3
Xlogp3
2.3
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CatalogNumber: AE99173
ChemicalName: Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
CasNumber: 187035-79-6
MolecularFormula: C8H6ClF3N2O2
MolecularWeight: 254.5936
MdlNumber: MFCD01312372
Smiles: CCOC(=O)c1cnc(nc1C(F)(F)F)Cl
Complexity: 262
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AE99173
ChemicalName:
Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
CasNumber:
187035-79-6
MolecularFormula:
C8H6ClF3N2O2
MolecularWeight:
254.5936
MdlNumber:
MFCD01312372
Smiles:
CCOC(=O)c1cnc(nc1C(F)(F)F)Cl
Complexity:
262
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
2.3
CatalogNumber: AE99174
ChemicalName: 4-Chloro-6-methylquinoline
CasNumber: 18436-71-0
MolecularFormula: C10H8ClN
MolecularWeight: 177.6302
MdlNumber: MFCD02684204
Smiles: Cc1ccc2c(c1)c(Cl)ccn2
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 1
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
AE99174
ChemicalName:
4-Chloro-6-methylquinoline
CasNumber:
18436-71-0
MolecularFormula:
C10H8ClN
MolecularWeight:
177.6302
MdlNumber:
MFCD02684204
Smiles:
Cc1ccc2c(c1)c(Cl)ccn2
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
1
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1C[C@H](C(=O)O)N
Complexity: 196
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccccc1C[C@H](C(=O)O)N
Complexity:
196
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCC(CC1)CNC(=O)OC(C)(C)C)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCC(CC1)CNC(=O)OC(C)(C)C)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__