AF31748
22876-21-7 | 5-Nitro-3H-1,3-benzoxazole-2-thione
Manufacturer: A2B Chem
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CatalogNumber
AF31748
ChemicalName
5-Nitro-3H-1,3-benzoxazole-2-thione
CasNumber
22876-21-7
MolecularFormula
C7H4N2O3S
MolecularWeight
196.1833
MdlNumber
MFCD00785214
Smiles
[O-][N+](=O)c1ccc2c(c1)[nH]c(=S)o2
Complexity
253
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
Xlogp3
1.6
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CatalogNumber: AF31748
ChemicalName: 5-Nitro-3H-1,3-benzoxazole-2-thione
CasNumber: 22876-21-7
MolecularFormula: C7H4N2O3S
MolecularWeight: 196.1833
MdlNumber: MFCD00785214
Smiles: [O-][N+](=O)c1ccc2c(c1)[nH]c(=S)o2
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
Xlogp3: 1.6
CatalogNumber:
AF31748
ChemicalName:
5-Nitro-3H-1,3-benzoxazole-2-thione
CasNumber:
22876-21-7
MolecularFormula:
C7H4N2O3S
MolecularWeight:
196.1833
MdlNumber:
MFCD00785214
Smiles:
[O-][N+](=O)c1ccc2c(c1)[nH]c(=S)o2
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
Xlogp3:
1.6
CatalogNumber: AF31749
ChemicalName: Methyl 6-hydroxy-5-nitronicotinate
CasNumber: 222970-61-8
MolecularFormula: C7H6N2O5
MolecularWeight: 198.1329
MdlNumber: MFCD10699641
Smiles: [O-][N+](=O)c1cc(cnc1O)C(=O)OC
Complexity: 363
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
Xlogp3: -0.2
CatalogNumber:
AF31749
ChemicalName:
Methyl 6-hydroxy-5-nitronicotinate
CasNumber:
222970-61-8
MolecularFormula:
C7H6N2O5
MolecularWeight:
198.1329
MdlNumber:
MFCD10699641
Smiles:
[O-][N+](=O)c1cc(cnc1O)C(=O)OC
Complexity:
363
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
Xlogp3:
-0.2
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MolecularFormula: __
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Smiles: O=C(NC(c1cccc(c1)C)CC(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity: __
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Smiles:
O=C(NC(c1cccc(c1)C)CC(=O)O)OCC1c2ccccc2-c2c1cccc2
Complexity:
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HeavyAtomCount:
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Xlogp3:
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Smiles: OC(=O)c1ccc2c(c1)nc(o2)c1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)c1ccc2c(c1)nc(o2)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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Xlogp3:
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