54178-27-7
4-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
Name
4-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
Formula
C10 H8 N4 O
MolWeight
200.2
1Identification
【Name】
4-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE
【CAS】
【MDL】
MFCD20228973
【English Synonyms】
【Formula】
C10 H8 N4 O
【MolWeight】
200.2
【Inchi】
InChI=1S/C10H8N4O/c11-6-7-1-3-8(4-2-7)14-10(15)5-9(12)13-14/h1-4H,5H2,(H2,12,13)
【InChIKey】
InChIKey=BKBZUUDPLMASIO-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C#N)N2C(=O)CC(=N2)N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-AMINO-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL)BENZONITRILE.cml
Quick Release
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Catalog No:AC16036 1G
Catalog No:AC16036 5G
Country/Region:United States
Business Type:Others
http://www.aromacircle.com
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