AB46126
626-35-7 | Ethyl nitroacetate
Manufacturer: A2B Chem
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CatalogNumber
AB46126
ChemicalName
Ethyl nitroacetate
CasNumber
626-35-7
MolecularFormula
C4H7NO4
MolecularWeight
133.1027
MdlNumber
MFCD00007403
Smiles
CCOC(=O)CN(=O)=O
NscNumber
42302
Complexity
116
Covalently-bondedUnitCount
1
HeavyAtomCount
9
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
0.5
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CatalogNumber: AB46126
ChemicalName: Ethyl nitroacetate
CasNumber: 626-35-7
MolecularFormula: C4H7NO4
MolecularWeight: 133.1027
MdlNumber: MFCD00007403
Smiles: CCOC(=O)CN(=O)=O
NscNumber: 42302
Complexity: 116
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 0.5
CatalogNumber:
AB46126
ChemicalName:
Ethyl nitroacetate
CasNumber:
626-35-7
MolecularFormula:
C4H7NO4
MolecularWeight:
133.1027
MdlNumber:
MFCD00007403
Smiles:
CCOC(=O)CN(=O)=O
NscNumber:
42302
Complexity:
116
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
0.5
CatalogNumber: AB46127
ChemicalName: Ethyl o-mesitylsulfonylacetohydroxamate
CasNumber: 38202-27-6
MolecularFormula: C13H19NO4S
MolecularWeight: 285.3593
MdlNumber: MFCD00009244
Smiles: CCOC(=NOS(=O)(=O)c1c(C)cc(cc1C)C)C
NscNumber: __
Complexity: 401
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 3.3
CatalogNumber:
AB46127
ChemicalName:
Ethyl o-mesitylsulfonylacetohydroxamate
CasNumber:
38202-27-6
MolecularFormula:
C13H19NO4S
MolecularWeight:
285.3593
MdlNumber:
MFCD00009244
Smiles:
CCOC(=NOS(=O)(=O)c1c(C)cc(cc1C)C)C
NscNumber:
__
Complexity:
401
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
3.3
CatalogNumber: AB46128
ChemicalName: Ethyl Pentafluoropropionate
CasNumber: 426-65-3
MolecularFormula: C5H5F5O2
MolecularWeight: 192.084
MdlNumber: MFCD00000431
Smiles: CCOC(=O)C(C(F)(F)F)(F)F
NscNumber: __
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 7
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AB46128
ChemicalName:
Ethyl Pentafluoropropionate
CasNumber:
426-65-3
MolecularFormula:
C5H5F5O2
MolecularWeight:
192.084
MdlNumber:
MFCD00000431
Smiles:
CCOC(=O)C(C(F)(F)F)(F)F
NscNumber:
__
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
7
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: AB46129
ChemicalName: Ethyl 4-nitrobenzoate
CasNumber: 99-77-4
MolecularFormula: C9H9NO4
MolecularWeight: 195.1721
MdlNumber: MFCD00007351
Smiles: CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber: 6763
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 2.3
CatalogNumber:
AB46129
ChemicalName:
Ethyl 4-nitrobenzoate
CasNumber:
99-77-4
MolecularFormula:
C9H9NO4
MolecularWeight:
195.1721
MdlNumber:
MFCD00007351
Smiles:
CCOC(=O)c1ccc(cc1)[N+](=O)[O-]
NscNumber:
6763
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
2.3