AB75669
50603-99-1 | Methyl 3-(1-bromoethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB75669
ChemicalName
Methyl 3-(1-bromoethyl)benzoate
CasNumber
50603-99-1
MolecularFormula
C10H11BrO2
MolecularWeight
243.0971
MdlNumber
MFCD26937555
Smiles
COC(=O)c1cccc(c1)C(Br)C
Complexity
182
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
3.4
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CatalogNumber: AB75669
ChemicalName: Methyl 3-(1-bromoethyl)benzoate
CasNumber: 50603-99-1
MolecularFormula: C10H11BrO2
MolecularWeight: 243.0971
MdlNumber: MFCD26937555
Smiles: COC(=O)c1cccc(c1)C(Br)C
Complexity: 182
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.4
CatalogNumber:
AB75669
ChemicalName:
Methyl 3-(1-bromoethyl)benzoate
CasNumber:
50603-99-1
MolecularFormula:
C10H11BrO2
MolecularWeight:
243.0971
MdlNumber:
MFCD26937555
Smiles:
COC(=O)c1cccc(c1)C(Br)C
Complexity:
182
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1sccc1n1cccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1sccc1n1cccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: AB75671
ChemicalName: Methyl 3-(2-bromoacetyl)benzoate
CasNumber: 27475-19-0
MolecularFormula: C10H9BrO3
MolecularWeight: 257.0807
MdlNumber: MFCD09834617
Smiles: COC(=O)c1cccc(c1)C(=O)CBr
Complexity: 227
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
UndefinedAtomStereocenterCount: __
Xlogp3: 2.7
CatalogNumber:
AB75671
ChemicalName:
Methyl 3-(2-bromoacetyl)benzoate
CasNumber:
27475-19-0
MolecularFormula:
C10H9BrO3
MolecularWeight:
257.0807
MdlNumber:
MFCD09834617
Smiles:
COC(=O)c1cccc(c1)C(=O)CBr
Complexity:
227
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)CCc1ccccc1OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)CCc1ccccc1OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__