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4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

HCID 3758964
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Basic information

CAS
56737-17-8
Standard SMILES
O=C(NC(O)C(Cl)(Cl)Cl)c1ccc(Cl)cc1
InChIKey
YHAUBUQTPJRKKV-UHFFFAOYSA-N
Molecular formula
C9H7Cl4NO2
Average molar mass
303 g/mol
Monoisotopic mass
300.923089

Names & identifiers

Preferred name
4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide
IUPAC
4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide

Names & synonyms

4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)benzamide56737-17-8DTXSID50396026RefChem:292007DTXCID10346885Benzamide, 4-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)-SCHEMBL4682432YHAUBUQTPJRKKV-UHFFFAOYSA-NAKOS001584033AKOS016042814

Database identifiers

CAS
56737-17-8
PubChem CID
3758964
DTXSID
DTXSID50396026
Nikkaji
J1.511.341C

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
248

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Related reactions

2 records
New reaction record
HRID 479494 reaction equation
HRID 479494As productuspto-grants-2003_11
HRID 1220055 reaction equation
HRID 1220055As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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