AC14019
85330-50-3 | 4-Nitro-1,3-dihydro-1,3-benzodiazol-2-one
Manufacturer: A2B Chem
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CatalogNumber
AC14019
ChemicalName
4-Nitro-1,3-dihydro-1,3-benzodiazol-2-one
CasNumber
85330-50-3
MolecularFormula
C7H5N3O3
MolecularWeight
179.1329
MdlNumber
MFCD09835484
Smiles
[O-][N+](=O)c1cccc2c1[nH]c(=O)[nH]2
Complexity
250
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
Xlogp3
0.4
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CatalogNumber: AC14019
ChemicalName: 4-Nitro-1,3-dihydro-1,3-benzodiazol-2-one
CasNumber: 85330-50-3
MolecularFormula: C7H5N3O3
MolecularWeight: 179.1329
MdlNumber: MFCD09835484
Smiles: [O-][N+](=O)c1cccc2c1[nH]c(=O)[nH]2
Complexity: 250
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
Xlogp3: 0.4
CatalogNumber:
AC14019
ChemicalName:
4-Nitro-1,3-dihydro-1,3-benzodiazol-2-one
CasNumber:
85330-50-3
MolecularFormula:
C7H5N3O3
MolecularWeight:
179.1329
MdlNumber:
MFCD09835484
Smiles:
[O-][N+](=O)c1cccc2c1[nH]c(=O)[nH]2
Complexity:
250
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
Xlogp3:
0.4
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Smiles: c1ccc(nc1)Cc1nc2c([nH]1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
c1ccc(nc1)Cc1nc2c([nH]1)cccc2
Complexity:
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Smiles: CCC(c1ccc(cc1)Oc1ccc(cc1Cl)N)(C)C
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Smiles:
CCC(c1ccc(cc1)Oc1ccc(cc1Cl)N)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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Xlogp3:
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Smiles: [O-]C(=O)C[C@@H](CC(=O)OC)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-]C(=O)C[C@@H](CC(=O)OC)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
Xlogp3:
__