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Structure

3-[4-(4-Nitrophenyl)piperazin-1-yl]-3-oxopropanenitrile

CAS
122648-74-2
Catalog Number
ACM122648742
Category
Other Products
Molecular Weight
274.275
Molecular Formula
C13H14N4O3
MSDS COA Spec Sheet

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Specification

Synonyms
Oprea1_180497, MolPort-002-465-524, ZINC03887011, CID3845551, PB-90261253, 122648-74-2
IUPAC Name
3-[4-(4-nitrophenyl)piperazin-1-yl]-3-oxopropanenitrile
Canonical SMILES
C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC#N
InChI Key
KUMCXTMKBWPBOF-UHFFFAOYSA-N
Boiling Point
552.6ºC at 760mmHg
Flash Point
288ºC
Density
1.333g/cm³
Exact Mass
274.10700
H-Bond Acceptor
5
H-Bond Donor
0
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