AB75971
57800-76-7 | 5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB75971
ChemicalName
5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
CasNumber
57800-76-7
MolecularFormula
C6H4ClNO4S
MolecularWeight
221.6183
MdlNumber
MFCD08275718
Smiles
COC(=O)c1sc(c(c1)[N+](=O)[O-])Cl
Complexity
231
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
2.6
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CatalogNumber: AB75971
ChemicalName: 5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
CasNumber: 57800-76-7
MolecularFormula: C6H4ClNO4S
MolecularWeight: 221.6183
MdlNumber: MFCD08275718
Smiles: COC(=O)c1sc(c(c1)[N+](=O)[O-])Cl
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 2.6
CatalogNumber:
AB75971
ChemicalName:
5-Chloro-4-nitrothiophene-2-carboxylic acid methyl ester
CasNumber:
57800-76-7
MolecularFormula:
C6H4ClNO4S
MolecularWeight:
221.6183
MdlNumber:
MFCD08275718
Smiles:
COC(=O)c1sc(c(c1)[N+](=O)[O-])Cl
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(o1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(o1)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB75973
ChemicalName: 5-Cyano-3-pyridinecarboxylic acid methyl ester
CasNumber: 106726-82-3
MolecularFormula: C8H6N2O2
MolecularWeight: 162.14543999999998
MdlNumber: MFCD07367902
Smiles: COC(=O)c1cc(cnc1)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
AB75973
ChemicalName:
5-Cyano-3-pyridinecarboxylic acid methyl ester
CasNumber:
106726-82-3
MolecularFormula:
C8H6N2O2
MolecularWeight:
162.14543999999998
MdlNumber:
MFCD07367902
Smiles:
COC(=O)c1cc(cnc1)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCC1(CCCC(=O)OC)OCC(N1[O])(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCC1(CCCC(=O)OC)OCC(N1[O])(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__