AI51769
52449-43-1 | Methyl 4-chlorophenylacetate
Manufacturer: A2B Chem
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CatalogNumber
AI51769
ChemicalName
Methyl 4-chlorophenylacetate
CasNumber
52449-43-1
MolecularFormula
C9H9ClO2
MolecularWeight
184.6196
MdlNumber
MFCD00032743
Smiles
COC(=O)Cc1ccc(cc1)Cl
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AI51769
ChemicalName: Methyl 4-chlorophenylacetate
CasNumber: 52449-43-1
MolecularFormula: C9H9ClO2
MolecularWeight: 184.6196
MdlNumber: MFCD00032743
Smiles: COC(=O)Cc1ccc(cc1)Cl
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AI51769
ChemicalName:
Methyl 4-chlorophenylacetate
CasNumber:
52449-43-1
MolecularFormula:
C9H9ClO2
MolecularWeight:
184.6196
MdlNumber:
MFCD00032743
Smiles:
COC(=O)Cc1ccc(cc1)Cl
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H](C[C@@H]1N)n1cc(C)c(=O)[nH]c1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H](C[C@@H]1N)n1cc(C)c(=O)[nH]c1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI51771
ChemicalName: M-Beta-hydroxyethylsulfonyl aniline
CasNumber: 5246-57-1
MolecularFormula: C8H11NO3S
MolecularWeight: 201.2428
MdlNumber: MFCD00044070
Smiles: OCCS(=O)(=O)c1cccc(c1)N
Complexity: 245
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: -0.4
CatalogNumber:
AI51771
ChemicalName:
M-Beta-hydroxyethylsulfonyl aniline
CasNumber:
5246-57-1
MolecularFormula:
C8H11NO3S
MolecularWeight:
201.2428
MdlNumber:
MFCD00044070
Smiles:
OCCS(=O)(=O)c1cccc(c1)N
Complexity:
245
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1CNC(C1)c1cc2c(s1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1CNC(C1)c1cc2c(s1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__