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Methyl 2-amino-3,3-bis(4-chlorophenyl)propanoate

HCID 68769907
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C(N)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIKey
HZWPUGRNHJGAAE-UHFFFAOYSA-N
Molecular formula
C16H15Cl2NO2
Average molar mass
324.2 g/mol
Monoisotopic mass
323.0479841

Names & identifiers

Preferred name
Methyl 2-amino-3,3-bis(4-chlorophenyl)propanoate
IUPAC
methyl 2-amino-3,3-bis(4-chlorophenyl)propanoate

Names & synonyms

SCHEMBL3744598

Database identifiers

PubChem CID
68769907

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
315

Related reactions

5 records
New reaction record
HRID 669148 reaction equation
HRID 669148As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 946294 reaction equation
HRID 946294As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1134015 reaction equation
HRID 1134015As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1148236 reaction equation
HRID 1148236As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2327964 reaction equation
HRID 2327964As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes