AI51852
528892-33-3 | Ethyl (4-bromo-2-nitrophenoxy)acetate
Manufacturer: A2B Chem
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CatalogNumber
AI51852
ChemicalName
Ethyl (4-bromo-2-nitrophenoxy)acetate
CasNumber
528892-33-3
MolecularFormula
C10H10BrNO5
MolecularWeight
304.0941
MdlNumber
MFCD09863090
Smiles
CCOC(=O)COc1ccc(cc1[N+](=O)[O-])Br
Complexity
280
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
RotatableBondCount
5
Xlogp3
2.7
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CatalogNumber: AI51852
ChemicalName: Ethyl (4-bromo-2-nitrophenoxy)acetate
CasNumber: 528892-33-3
MolecularFormula: C10H10BrNO5
MolecularWeight: 304.0941
MdlNumber: MFCD09863090
Smiles: CCOC(=O)COc1ccc(cc1[N+](=O)[O-])Br
Complexity: 280
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
RotatableBondCount: 5
Xlogp3: 2.7
CatalogNumber:
AI51852
ChemicalName:
Ethyl (4-bromo-2-nitrophenoxy)acetate
CasNumber:
528892-33-3
MolecularFormula:
C10H10BrNO5
MolecularWeight:
304.0941
MdlNumber:
MFCD09863090
Smiles:
CCOC(=O)COc1ccc(cc1[N+](=O)[O-])Br
Complexity:
280
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
RotatableBondCount:
5
Xlogp3:
2.7
CatalogNumber: AI51853
ChemicalName: 2-Aminobenzaldehyde
CasNumber: 529-23-7
MolecularFormula: C7H7NO
MolecularWeight: 121.1366
MdlNumber: MFCD30488993
Smiles: O=Cc1ccccc1N
Complexity: 103
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.6
CatalogNumber:
AI51853
ChemicalName:
2-Aminobenzaldehyde
CasNumber:
529-23-7
MolecularFormula:
C7H7NO
MolecularWeight:
121.1366
MdlNumber:
MFCD30488993
Smiles:
O=Cc1ccccc1N
Complexity:
103
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.6
CatalogNumber: AI51854
ChemicalName: Genistin
CasNumber: 529-59-9
MolecularFormula: C21H20O10
MolecularWeight: 432.3775
MdlNumber: MFCD00016883
Smiles: OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AI51854
ChemicalName:
Genistin
CasNumber:
529-59-9
MolecularFormula:
C21H20O10
MolecularWeight:
432.3775
MdlNumber:
MFCD00016883
Smiles:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)occ(c3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(cc1)/N=N/c1ccc(c2c1cccc2)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(cc1)/N=N/c1ccc(c2c1cccc2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__