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Home > Nitro Compounds > 3682-15-3

3682-15-3

3682-15-3 | 3-Nitrophthalhydrazide

CAS No: 3682-15-3 Catalog No: AG003JTR MDL No:MFCD00006889

Product Description

Catalog Number:
AG003JTR
Chemical Name:
3-Nitrophthalhydrazide
CAS Number:
3682-15-3
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
MDL Number:
MFCD00006889
IUPAC Name:
5-nitro-2,3-dihydrophthalazine-1,4-dione
InChI:
InChI=1S/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)
InChI Key:
YVOBBFQJMOGQOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(=O)[nH][nH]c2=O
EC Number:
814-745-1
NSC Number:
942

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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