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1269292-09-2

1269292-09-2 | 1H-Pyrazole-5-carboxaldehyde, 1-(2-nitrophenyl)-

CAS No: 1269292-09-2 Catalog No: AG000TII MDL No:MFCD20275386

Product Description

Catalog Number:
AG000TII
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-(2-nitrophenyl)-
CAS Number:
1269292-09-2
Molecular Formula:
C10H7N3O3
Molecular Weight:
217.1809
MDL Number:
MFCD20275386
IUPAC Name:
2-(2-nitrophenyl)pyrazole-3-carbaldehyde
InChI:
InChI=1S/C10H7N3O3/c14-7-8-5-6-11-12(8)9-3-1-2-4-10(9)13(15)16/h1-7H
InChI Key:
KOXGCYXEIVBUBY-UHFFFAOYSA-N
SMILES:
O=Cc1ccnn1c1ccccc1[N+](=O)[O-]

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.049g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.184g/mol
Monoisotopic Mass:
217.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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