AI59605
887576-01-4 | 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene
Manufacturer: A2B Chem
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CatalogNumber
AI59605
ChemicalName
3-Bromo-5-(ethylcarbonyl)-2-methylthiophene
CasNumber
887576-01-4
MolecularFormula
C8H9BrOS
MolecularWeight
233.1255
MdlNumber
MFCD01860028
Smiles
CCC(=O)c1cc(c(s1)C)Br
Complexity
160
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AI59605
ChemicalName: 3-Bromo-5-(ethylcarbonyl)-2-methylthiophene
CasNumber: 887576-01-4
MolecularFormula: C8H9BrOS
MolecularWeight: 233.1255
MdlNumber: MFCD01860028
Smiles: CCC(=O)c1cc(c(s1)C)Br
Complexity: 160
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AI59605
ChemicalName:
3-Bromo-5-(ethylcarbonyl)-2-methylthiophene
CasNumber:
887576-01-4
MolecularFormula:
C8H9BrOS
MolecularWeight:
233.1255
MdlNumber:
MFCD01860028
Smiles:
CCC(=O)c1cc(c(s1)C)Br
Complexity:
160
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)c1cc(F)c(cc1Cl)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)c1cc(F)c(cc1Cl)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI59607
ChemicalName: 3-formyl-1H-indole-6-carboxylic acid
CasNumber: 887576-06-9
MolecularFormula: C10H7NO3
MolecularWeight: 189.1675
MdlNumber: MFCD06656877
Smiles: O=Cc1c[nH]c2c1ccc(c2)C(=O)O
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.2
CatalogNumber:
AI59607
ChemicalName:
3-formyl-1H-indole-6-carboxylic acid
CasNumber:
887576-06-9
MolecularFormula:
C10H7NO3
MolecularWeight:
189.1675
MdlNumber:
MFCD06656877
Smiles:
O=Cc1c[nH]c2c1ccc(c2)C(=O)O
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N#Cc1n[nH]c2c1ccc(c2)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1n[nH]c2c1ccc(c2)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__