AI52684
56525-63-4 | Methyl 3-chloro-4-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AI52684
ChemicalName
Methyl 3-chloro-4-methylbenzoate
CasNumber
56525-63-4
MolecularFormula
C9H9ClO2
MolecularWeight
184.6196
MdlNumber
MFCD00205141
Smiles
COC(=O)c1ccc(c(c1)Cl)C
Complexity
170
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AI52684
ChemicalName: Methyl 3-chloro-4-methylbenzoate
CasNumber: 56525-63-4
MolecularFormula: C9H9ClO2
MolecularWeight: 184.6196
MdlNumber: MFCD00205141
Smiles: COC(=O)c1ccc(c(c1)Cl)C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AI52684
ChemicalName:
Methyl 3-chloro-4-methylbenzoate
CasNumber:
56525-63-4
MolecularFormula:
C9H9ClO2
MolecularWeight:
184.6196
MdlNumber:
MFCD00205141
Smiles:
COC(=O)c1ccc(c(c1)Cl)C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1c(OC)ccc(c1C(=O)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c(OC)ccc(c1C(=O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C(C(F)(F)F)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C(C(F)(F)F)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AI52687
ChemicalName: 3-Cyanobenzenesulfonyl chloride
CasNumber: 56542-67-7
MolecularFormula: C7H4ClNO2S
MolecularWeight: 201.6302
MdlNumber: MFCD00203480
Smiles: N#Cc1cccc(c1)S(=O)(=O)Cl
Complexity: 297
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 1
Xlogp3: 1.7
CatalogNumber:
AI52687
ChemicalName:
3-Cyanobenzenesulfonyl chloride
CasNumber:
56542-67-7
MolecularFormula:
C7H4ClNO2S
MolecularWeight:
201.6302
MdlNumber:
MFCD00203480
Smiles:
N#Cc1cccc(c1)S(=O)(=O)Cl
Complexity:
297
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
1
Xlogp3:
1.7