AE13362
105189-44-4 | (S)-Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate
Manufacturer: A2B Chem
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CatalogNumber
AE13362
ChemicalName
(S)-Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate
CasNumber
105189-44-4
MolecularFormula
C12H10Br2F3NO4
MolecularWeight
449.0153
MdlNumber
MFCD01571092
Smiles
COC(=O)C(Cc1cc(Br)c(c(c1)Br)O)NC(=O)C(F)(F)F
Complexity
410
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
5
UndefinedAtomStereocenterCount
1
Xlogp3
3.6
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CatalogNumber: AE13362
ChemicalName: (S)-Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate
CasNumber: 105189-44-4
MolecularFormula: C12H10Br2F3NO4
MolecularWeight: 449.0153
MdlNumber: MFCD01571092
Smiles: COC(=O)C(Cc1cc(Br)c(c(c1)Br)O)NC(=O)C(F)(F)F
Complexity: 410
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 1
Xlogp3: 3.6
CatalogNumber:
AE13362
ChemicalName:
(S)-Methyl 3-(3,5-dibromo-4-hydroxyphenyl)-2-(2,2,2-trifluoroacetamido)propanoate
CasNumber:
105189-44-4
MolecularFormula:
C12H10Br2F3NO4
MolecularWeight:
449.0153
MdlNumber:
MFCD01571092
Smiles:
COC(=O)C(Cc1cc(Br)c(c(c1)Br)O)NC(=O)C(F)(F)F
Complexity:
410
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
1
Xlogp3:
3.6
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Smiles: N[C@@H]1CCCC[C@@H]1C(=O)N.Cl
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Smiles:
N[C@@H]1CCCC[C@@H]1C(=O)N.Cl
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HeavyAtomCount:
__
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__
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Smiles: O=C1COc2c(N1)cc(c(c2)Cl)C
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Smiles:
O=C1COc2c(N1)cc(c(c2)Cl)C
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__
HydrogenBondAcceptorCount:
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Smiles: Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Cl
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__