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Acetamide, N-(4-bromo-2,6-dichloro-3-methylphenyl)-

HCID 110146
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Basic information

CAS
68399-95-1
Standard SMILES
CC(=O)Nc1c(Cl)cc(Br)c(C)c1Cl
InChIKey
MRPNWLPYJSSISQ-UHFFFAOYSA-N
Molecular formula
C9H8BrCl2NO
Average molar mass
296.97 g/mol
Monoisotopic mass
294.91663

Names & identifiers

Preferred name
Acetamide, N-(4-bromo-2,6-dichloro-3-methylphenyl)-
IUPAC
N-(4-bromo-2,6-dichloro-3-methylphenyl)acetamide
English name
N-(4-bromo-2,6-dichloro-3-methylphenyl)acetamide
Molecular formula
C9H8BrCl2NO
Molecular weight
296.98

Names & synonyms

N-(4-Bromo-2,6-dichloro-3-methylphenyl)acetamideAcetamide, N-(4-bromo-2,6-dichloro-3-methylphenyl)-EINECS 270-001-0DTXSID8071487RefChem:108843DTXCID7045946270-001-068399-95-1N-(4-Bromo-2,6-dichloro-3-methyl-phenyl)-acetamideSCHEMBL8125456SB38315DA-41704
Show more names
N-4-romo-,-ichloro--ethylphenyl)cetamide
NS00007383N-(2,6-dichloro-4-bromo-3-methylphenyl)acetamide

Database identifiers

CAS
68399-95-1
PubChem CID
110146
DTXSID
DTXSID8071487
EC Number
270-001-0
Nikkaji
J349.398I

Properties

Computed structural propertiesFilling in

XLogP
3.4
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
227

Physicochemical properties

Henry's Law Constant
6.7 · 6.7×103 mol/(m3Pa) at 25℃, Zhang et al. (2010)
EPA Substance Registry System
Acetamide, N-(4-bromo-2,6-dichloro-3-methylphenyl)- (68399-95-1)
TSCA
TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetamide, N-(4-bromo-2,6-dichloro-3-methylphenyl)-: INACTIVE

Related reactions

2 records
New reaction record
HRID 974411 reaction equation
HRID 974411As reactantuspto-grants-1991_11
HRID 1212495 reaction equation
HRID 1212495As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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