AI52767
56921-01-8 | Methyl 5-methyl-4-nitrothiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI52767
ChemicalName
Methyl 5-methyl-4-nitrothiophene-2-carboxylate
CasNumber
56921-01-8
MolecularFormula
C7H7NO4S
MolecularWeight
201.1998
MdlNumber
MFCD18642553
Smiles
COC(=O)c1sc(c(c1)[N+](=O)[O-])C
NscNumber
108993
Complexity
227
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2
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CatalogNumber: AI52767
ChemicalName: Methyl 5-methyl-4-nitrothiophene-2-carboxylate
CasNumber: 56921-01-8
MolecularFormula: C7H7NO4S
MolecularWeight: 201.1998
MdlNumber: MFCD18642553
Smiles: COC(=O)c1sc(c(c1)[N+](=O)[O-])C
NscNumber: 108993
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AI52767
ChemicalName:
Methyl 5-methyl-4-nitrothiophene-2-carboxylate
CasNumber:
56921-01-8
MolecularFormula:
C7H7NO4S
MolecularWeight:
201.1998
MdlNumber:
MFCD18642553
Smiles:
COC(=O)c1sc(c(c1)[N+](=O)[O-])C
NscNumber:
108993
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
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Smiles: Cc1ccc(cc1)c1cn2c(n1)nccc2
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1ccc(cc1)c1cn2c(n1)nccc2
NscNumber:
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: OCCNc1ccc(cc1N)[N+](=O)[O-]
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Smiles:
OCCNc1ccc(cc1N)[N+](=O)[O-]
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Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: c1ccc(cc1)COc1ccc2c(c1)cc([nH]2)c1ccc[nH]1
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Complexity: __
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HeavyAtomCount: __
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CatalogNumber:
__
ChemicalName:
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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:
c1ccc(cc1)COc1ccc2c(c1)cc([nH]2)c1ccc[nH]1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__