AG20640
52771-99-0 | 5-Nitro-1,3-dihydroisobenzofuran
Manufacturer: A2B Chem
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CatalogNumber
AG20640
ChemicalName
5-Nitro-1,3-dihydroisobenzofuran
CasNumber
52771-99-0
MolecularFormula
C8H7NO3
MolecularWeight
165.1461
MdlNumber
MFCD09842489
Smiles
[O-][N+](=O)c1ccc2c(c1)COC2
Complexity
189
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
Xlogp3
1
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CatalogNumber: AG20640
ChemicalName: 5-Nitro-1,3-dihydroisobenzofuran
CasNumber: 52771-99-0
MolecularFormula: C8H7NO3
MolecularWeight: 165.1461
MdlNumber: MFCD09842489
Smiles: [O-][N+](=O)c1ccc2c(c1)COC2
Complexity: 189
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
Xlogp3: 1
CatalogNumber:
AG20640
ChemicalName:
5-Nitro-1,3-dihydroisobenzofuran
CasNumber:
52771-99-0
MolecularFormula:
C8H7NO3
MolecularWeight:
165.1461
MdlNumber:
MFCD09842489
Smiles:
[O-][N+](=O)c1ccc2c(c1)COC2
Complexity:
189
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
Xlogp3:
1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@@H]([C@@H]1NC(=O)[C@H](Cc1ccc(cc1)OC)N)O)n1cnc2c1ncnc2N(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@@H]([C@@H]1NC(=O)[C@H](Cc1ccc(cc1)OC)N)O)n1cnc2c1ncnc2N(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1N)C)C
Complexity: 120
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: 2.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1N)C)C
Complexity:
120
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1NC(=O)C2C1C2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1NC(=O)C2C1C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__