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3,4,5-tribromo-N,N,alpha-trimethyl-1H-pyrazole-1-acetamide

HCID 36701
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Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
34157-48-7
Standard SMILES
CC(C(=O)N(C)C)n1nc(Br)c(Br)c1Br
InChIKey
YRTVPMMOMWZNEU-UHFFFAOYSA-N
Molecular formula
C8H10Br3N3O
Average molar mass
403.9 g/mol
Monoisotopic mass
400.8374

Overview

pre-emergence herbicide

Names & identifiers

Preferred name
3,4,5-tribromo-N,N,alpha-trimethyl-1H-pyrazole-1-acetamide
IUPAC
N,N-dimethyl-2-(3,4,5-tribromopyrazol-1-yl)propanamide
English name
3,4,5-Tribromo-N,N,α-trimethyl-1H-pyrazole-1-acetamide
Molecular formula
C8H10Br3N3O
Molecular weight
403.8965

Names & synonyms

34157-48-73,4,5-Tribromo-N,N,alpha-trimethyl-1H-pyrazole-1-acetamideRefChem:90899Upjohn 272673,4,5-Tribromo-N,N.alpha.-trimethylpyrazole-1-acetamideU 67BRN 0536256U 272673,4,5-Tribromo-N,N,alpha-trimethylpyrazole-1-acetamide1H-Pyrazole-1-acetamide, 3,4,5-tribromo-N,N,alpha-trimethyl-1H-Pyrazole-1-acetamide, 3,4,5-tribromo-N,N,alpha-trimetyl-5-23-04-00178 (Beilstein Handbook Reference)
Show more names
U-272673,4,5-Tribromo-N,N,α-trimethyl-1H-pyrazole-1-acetamide
3,4,5-Tribromo-N,Nalpha-trimethylpyrazole-1-acetamideDTXSID2041466SCHEMBL10344998N,N-dimethyl-2-(3,4,5-tribromo-1H-pyrazol-1-yl)propanamidePyrazole-1-acetamide, 3,4,5-tribromo-N,N,alpha-trimethyl-NS001270273,4,5-Tribromo-N,N,alpha-trimethyl-1H-pyrazole-1- acetamide

Database identifiers

CAS
34157-48-7
PubChem CID
36701
DTXSID
DTXSID2041466
Nikkaji
J18.534E

Properties

Computed structural properties

XLogP
3
Topological polar surface area
38.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
251

Physicochemical properties

EPA Substance Registry System
3 · 3,4,5-Tribromo-N,N.alpha.-trimethylpyrazole-1-acetamide (34157-48-7)

Related reactions

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Compound notes

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