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N-tert-butyl-2,2,2-trichloroacetamide

HCID 304045
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
15679-00-2
Standard SMILES
CC(C)(C)NC(=O)C(Cl)(Cl)Cl
InChIKey
KHSSPZJNBPLHRP-UHFFFAOYSA-N
Molecular formula
C6H10Cl3NO
Average molar mass
218.5 g/mol
Monoisotopic mass
216.98279698

Names & identifiers

Preferred name
N-tert-butyl-2,2,2-trichloroacetamide
IUPAC
N-tert-butyl-2,2,2-trichloroacetamide

Names & synonyms

N-tert-butyl-2,2,2-trichloroacetamide15679-00-2DTXSID20307745RefChem:364936DTXCID50258872N-(tert-butyl)-2,2,2-trichloroacetamideNSC194881t-butyl-trichloroacetamidateSCHEMBL474686KHSSPZJNBPLHRP-UHFFFAOYSA-Nt-butyl-2,2,2-trichloroacetamidateSTL260248
Show more names
tert-butyl 2,2,2-trichloroacetamideAKOS002376737tert-butyl-2,2,2-trichloroacetamidateNSC-194881ST50486253F3099-7651

Database identifiers

CAS
15679-00-2
PubChem CID
304045
DTXSID
DTXSID20307745
Nikkaji
J1.093.878C

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Formal charge
0
Complexity
156

Related reactions

4 records
New reaction record
HRID 947079 reaction equation
HRID 947079As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1369052 reaction equation
HRID 1369052As reactantuspto-grants-2003_06
HRID 1377109 reaction equation
HRID 1377109As reactantuspto-grants-1997_09
HRID 1532869 reaction equation
HRID 1532869As reactantuspto-grants-2001_03

Compound notes

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