AG21388
50561-69-8 | Methyl 3-(4-chlorophenyl)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AG21388
ChemicalName
Methyl 3-(4-chlorophenyl)propanoate
CasNumber
50561-69-8
MolecularFormula
C10H11ClO2
MolecularWeight
198.6461
MdlNumber
MFCD08273468
Smiles
COC(=O)CCc1ccc(cc1)Cl
Complexity
162
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
4
UndefinedAtomStereocenterCount
1
Xlogp3
2.9
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CatalogNumber: AG21388
ChemicalName: Methyl 3-(4-chlorophenyl)propanoate
CasNumber: 50561-69-8
MolecularFormula: C10H11ClO2
MolecularWeight: 198.6461
MdlNumber: MFCD08273468
Smiles: COC(=O)CCc1ccc(cc1)Cl
Complexity: 162
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: 2.9
CatalogNumber:
AG21388
ChemicalName:
Methyl 3-(4-chlorophenyl)propanoate
CasNumber:
50561-69-8
MolecularFormula:
C10H11ClO2
MolecularWeight:
198.6461
MdlNumber:
MFCD08273468
Smiles:
COC(=O)CCc1ccc(cc1)Cl
Complexity:
162
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
2.9
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Smiles: CC(CS(=O)(=O)Cl)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
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MolecularWeight:
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Smiles:
CC(CS(=O)(=O)Cl)(C)C
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
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Smiles: Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O.Cl
Complexity: __
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RotatableBondCount: __
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MolecularFormula:
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Smiles:
Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
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Smiles: CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)Cl)CO)O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)NC1C(C(C(OC1OC2=CC=C(C=C2)Cl)CO)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__