AI40486
1820649-45-3 | Ethyl 6-methyl-4-oxo-6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI40486
ChemicalName
Ethyl 6-methyl-4-oxo-6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxylate
CasNumber
1820649-45-3
MolecularFormula
C10H12N2O4
MolecularWeight
224.2133
MdlNumber
MFCD28143930
Smiles
CCOC(=O)c1nn2c(c1)C(=O)OC(C2)C
Complexity
307
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.1
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CatalogNumber: AI40486
ChemicalName: Ethyl 6-methyl-4-oxo-6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxylate
CasNumber: 1820649-45-3
MolecularFormula: C10H12N2O4
MolecularWeight: 224.2133
MdlNumber: MFCD28143930
Smiles: CCOC(=O)c1nn2c(c1)C(=O)OC(C2)C
Complexity: 307
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.1
CatalogNumber:
AI40486
ChemicalName:
Ethyl 6-methyl-4-oxo-6H,7H-pyrazolo[3,2-c][1,4]oxazine-2-carboxylate
CasNumber:
1820649-45-3
MolecularFormula:
C10H12N2O4
MolecularWeight:
224.2133
MdlNumber:
MFCD28143930
Smiles:
CCOC(=O)c1nn2c(c1)C(=O)OC(C2)C
Complexity:
307
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CSc1cc(C)cnc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CSc1cc(C)cnc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cc(ccc1F)c1cccc(c1)C(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cc(ccc1F)c1cccc(c1)C(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AI40489
ChemicalName: 3-Bromo-4-chlorothioanisole
CasNumber: 1820649-56-6
MolecularFormula: C7H6BrClS
MolecularWeight: 237.5445
MdlNumber: MFCD22488903
Smiles: CSc1ccc(c(c1)Br)Cl
Complexity: 110
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: 3.7
CatalogNumber:
AI40489
ChemicalName:
3-Bromo-4-chlorothioanisole
CasNumber:
1820649-56-6
MolecularFormula:
C7H6BrClS
MolecularWeight:
237.5445
MdlNumber:
MFCD22488903
Smiles:
CSc1ccc(c(c1)Br)Cl
Complexity:
110
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
3.7