AE01911
80615-54-9 | Methyl 3-(acetylamino)-5-nitrothiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE01911
ChemicalName
Methyl 3-(acetylamino)-5-nitrothiophene-2-carboxylate
CasNumber
80615-54-9
MolecularFormula
C8H8N2O5S
MolecularWeight
244.2245
MdlNumber
MFCD11616107
Smiles
COC(=O)c1sc(cc1NC(=O)C)[N+](=O)[O-]
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.7
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CatalogNumber: AE01911
ChemicalName: Methyl 3-(acetylamino)-5-nitrothiophene-2-carboxylate
CasNumber: 80615-54-9
MolecularFormula: C8H8N2O5S
MolecularWeight: 244.2245
MdlNumber: MFCD11616107
Smiles: COC(=O)c1sc(cc1NC(=O)C)[N+](=O)[O-]
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.7
CatalogNumber:
AE01911
ChemicalName:
Methyl 3-(acetylamino)-5-nitrothiophene-2-carboxylate
CasNumber:
80615-54-9
MolecularFormula:
C8H8N2O5S
MolecularWeight:
244.2245
MdlNumber:
MFCD11616107
Smiles:
COC(=O)c1sc(cc1NC(=O)C)[N+](=O)[O-]
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.7
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Smiles: Oc1cc2OC(CC(=O)c2c(c1)O)c1c(O)cccc1O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
Oc1cc2OC(CC(=O)c2c(c1)O)c1c(O)cccc1O
Complexity:
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ChemicalName: __
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Smiles: OC(=O)c1ccc(cc1)NCc1ccc(s1)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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)c1ccc(cc1)NCc1ccc(s1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: C=CCN1CCCc2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
C=CCN1CCCc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__