AH42128
74339-45-0 | Methyl 2-(5-chloro-1H-indol-3-yl)acetate
Manufacturer: A2B Chem
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CatalogNumber
AH42128
ChemicalName
Methyl 2-(5-chloro-1H-indol-3-yl)acetate
CasNumber
74339-45-0
MolecularFormula
C11H10ClNO2
MolecularWeight
223.6556
MdlNumber
MFCD27923126
Smiles
COC(=O)Cc1c[nH]c2c1cc(Cl)cc2
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AH42128
ChemicalName: Methyl 2-(5-chloro-1H-indol-3-yl)acetate
CasNumber: 74339-45-0
MolecularFormula: C11H10ClNO2
MolecularWeight: 223.6556
MdlNumber: MFCD27923126
Smiles: COC(=O)Cc1c[nH]c2c1cc(Cl)cc2
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AH42128
ChemicalName:
Methyl 2-(5-chloro-1H-indol-3-yl)acetate
CasNumber:
74339-45-0
MolecularFormula:
C11H10ClNO2
MolecularWeight:
223.6556
MdlNumber:
MFCD27923126
Smiles:
COC(=O)Cc1c[nH]c2c1cc(Cl)cc2
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.4
CatalogNumber: __
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CasNumber: __
MolecularFormula: __
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Smiles: C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Mg+2]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Mg+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CC(C)C(=O)OCC(C)C(C(C)(C)C)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(C)C(=O)OCC(C)C(C(C)(C)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: COc1c2CC[C@@H]3[C@](c2ccc1C(C)C)(C)CCC1=C3COC1=O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1c2CC[C@@H]3[C@](c2ccc1C(C)C)(C)CCC1=C3COC1=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__