AI44558
203189-41-7 | Ethyl 4-cyano-3-hydroxy-5-(methylthio)thiophene-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI44558
ChemicalName
Ethyl 4-cyano-3-hydroxy-5-(methylthio)thiophene-2-carboxylate
CasNumber
203189-41-7
MolecularFormula
C9H9NO3S2
MolecularWeight
243.3027
MdlNumber
MFCD04150086
Smiles
CCOC(=O)c1sc(c(c1O)C#N)SC
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.9
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CatalogNumber: AI44558
ChemicalName: Ethyl 4-cyano-3-hydroxy-5-(methylthio)thiophene-2-carboxylate
CasNumber: 203189-41-7
MolecularFormula: C9H9NO3S2
MolecularWeight: 243.3027
MdlNumber: MFCD04150086
Smiles: CCOC(=O)c1sc(c(c1O)C#N)SC
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AI44558
ChemicalName:
Ethyl 4-cyano-3-hydroxy-5-(methylthio)thiophene-2-carboxylate
CasNumber:
203189-41-7
MolecularFormula:
C9H9NO3S2
MolecularWeight:
243.3027
MdlNumber:
MFCD04150086
Smiles:
CCOC(=O)c1sc(c(c1O)C#N)SC
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: AI44559
ChemicalName: (3E)-4-(5-Bromo-2-fluorophenyl)but-3-en-2-one
CasNumber: 203194-33-6
MolecularFormula: C10H8BrFO
MolecularWeight: 243.0723
MdlNumber: MFCD20286635
Smiles: CC(=O)/C=C/c1cc(Br)ccc1F
Complexity: 215
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI44559
ChemicalName:
(3E)-4-(5-Bromo-2-fluorophenyl)but-3-en-2-one
CasNumber:
203194-33-6
MolecularFormula:
C10H8BrFO
MolecularWeight:
243.0723
MdlNumber:
MFCD20286635
Smiles:
CC(=O)/C=C/c1cc(Br)ccc1F
Complexity:
215
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.8
CatalogNumber: AI44562
ChemicalName: 3-(2-Hydroxyethoxy)phenylboronic acid
CasNumber: 2032409-49-5
MolecularFormula: C8H11BO4
MolecularWeight: 181.9815
MdlNumber: MFCD28143927
Smiles: OCCOc1cccc(c1)B(O)O
Complexity: 142
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 3
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AI44562
ChemicalName:
3-(2-Hydroxyethoxy)phenylboronic acid
CasNumber:
2032409-49-5
MolecularFormula:
C8H11BO4
MolecularWeight:
181.9815
MdlNumber:
MFCD28143927
Smiles:
OCCOc1cccc(c1)B(O)O
Complexity:
142
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
3
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)Cn1ncc(=O)c2c1cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)Cn1ncc(=O)c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__