AI49691
39541-91-8 | 2-Methyl-4-(3-nitrophenyl)-1,3-thiazole
Manufacturer: A2B Chem
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CatalogNumber
AI49691
ChemicalName
2-Methyl-4-(3-nitrophenyl)-1,3-thiazole
CasNumber
39541-91-8
MolecularFormula
C10H8N2O2S
MolecularWeight
220.2477
MdlNumber
MFCD00838954
Smiles
Cc1scc(n1)c1cccc(c1)[N+](=O)[O-]
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
1
Xlogp3
2.8
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CatalogNumber: AI49691
ChemicalName: 2-Methyl-4-(3-nitrophenyl)-1,3-thiazole
CasNumber: 39541-91-8
MolecularFormula: C10H8N2O2S
MolecularWeight: 220.2477
MdlNumber: MFCD00838954
Smiles: Cc1scc(n1)c1cccc(c1)[N+](=O)[O-]
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
Xlogp3: 2.8
CatalogNumber:
AI49691
ChemicalName:
2-Methyl-4-(3-nitrophenyl)-1,3-thiazole
CasNumber:
39541-91-8
MolecularFormula:
C10H8N2O2S
MolecularWeight:
220.2477
MdlNumber:
MFCD00838954
Smiles:
Cc1scc(n1)c1cccc(c1)[N+](=O)[O-]
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1Cl)Cl)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1Cl)Cl)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI49693
ChemicalName: Isonipecotamide
CasNumber: 39546-32-2
MolecularFormula: C6H12N2O
MolecularWeight: 128.1723
MdlNumber: MFCD00038012
Smiles: NC(=O)C1CCNCC1
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: -1.4
CatalogNumber:
AI49693
ChemicalName:
Isonipecotamide
CasNumber:
39546-32-2
MolecularFormula:
C6H12N2O
MolecularWeight:
128.1723
MdlNumber:
MFCD00038012
Smiles:
NC(=O)C1CCNCC1
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
-1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=Cc1ccc2c(c1)OCCOCCOCCOCCOCCO2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=Cc1ccc2c(c1)OCCOCCOCCOCCOCCO2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__