AB51042
50624-94-7 | tert-Butyl ethyl oxalate
Manufacturer: A2B Chem
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CatalogNumber
AB51042
ChemicalName
tert-Butyl ethyl oxalate
CasNumber
50624-94-7
MolecularFormula
C8H14O4
MolecularWeight
174.1944
MdlNumber
MFCD11052953
Smiles
CCOC(=O)C(=O)OC(C)(C)C
Complexity
178
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
1.2
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CatalogNumber: AB51042
ChemicalName: tert-Butyl ethyl oxalate
CasNumber: 50624-94-7
MolecularFormula: C8H14O4
MolecularWeight: 174.1944
MdlNumber: MFCD11052953
Smiles: CCOC(=O)C(=O)OC(C)(C)C
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 1.2
CatalogNumber:
AB51042
ChemicalName:
tert-Butyl ethyl oxalate
CasNumber:
50624-94-7
MolecularFormula:
C8H14O4
MolecularWeight:
174.1944
MdlNumber:
MFCD11052953
Smiles:
CCOC(=O)C(=O)OC(C)(C)C
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@@H](c1ccccc1C)NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C[C@@H](c1ccccc1C)NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB51044
ChemicalName: 5-(Bromomethyl)-1-methyl-1h-1,2,3-benzotriazole
CasNumber: 499770-76-2
MolecularFormula: C8H8BrN3
MolecularWeight: 226.07321999999996
MdlNumber: MFCD03407338
Smiles: BrCc1ccc2c(c1)nnn2C
Complexity: 164
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AB51044
ChemicalName:
5-(Bromomethyl)-1-methyl-1h-1,2,3-benzotriazole
CasNumber:
499770-76-2
MolecularFormula:
C8H8BrN3
MolecularWeight:
226.07321999999996
MdlNumber:
MFCD03407338
Smiles:
BrCc1ccc2c(c1)nnn2C
Complexity:
164
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nc(N)c(c(n1)O)N.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(N)c(c(n1)O)N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__