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chloroacetaldehyde O-tert-butyloxime

HCID 53697151
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)ON=CCCl
InChIKey
BRJDZYXTQXWSHA-UHFFFAOYSA-N
Molecular formula
C6H12ClNO
Average molar mass
149.62 g/mol
Monoisotopic mass
149.0607417

Names & identifiers

Preferred name
chloroacetaldehyde O-tert-butyloxime
IUPAC
2-chloro-N-[(2-methylpropan-2-yl)oxy]ethanimine

Names & synonyms

SCHEMBL6547950BRJDZYXTQXWSHA-UHFFFAOYSA-Nchloroacetaldehyde O-tert-butyloximechloroacetoaldehyde O-tert-butyloxime

Database identifiers

PubChem CID
53697151

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
21.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
9
Formal charge
0
Complexity
95.7

Related reactions

7 records
New reaction record
HRID 1280255 reaction equation
HRID 1280255As productuspto-grants-2002_09
HRID 1280257 reaction equation
HRID 1280257As productuspto-grants-2002_09
HRID 2139103 reaction equation
HRID 2139103As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2149733 reaction equation
HRID 2149733As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2150180 reaction equation
HRID 2150180As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2305078 reaction equation
HRID 2305078As productuspto-grants-2002_08
HRID 2305080 reaction equation
HRID 2305080As productuspto-grants-2002_08

Compound notes

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