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Home > Nitro Compounds > 1004644-65-8
1004644-65-8 | 3-(3-NITRO-1H-PYRAZOL-1-YL)PROPANOHYDRAZIDE
CAS No: 1004644-65-8 Catalog No: AG01ANK6 MDL No:MFCD03419662
Product Description
Catalog Number:
AG01ANK6
Chemical Name:
3-(3-NITRO-1H-PYRAZOL-1-YL)PROPANOHYDRAZIDE
CAS Number:
1004644-65-8
Molecular Formula:
C6H9N5O3
Molecular Weight:
199.1674
MDL Number:
MFCD03419662
IUPAC Name:
3-(3-nitropyrazol-1-yl)propanehydrazide
InChI:
InChI=1S/C6H9N5O3/c7-8-6(12)2-4-10-3-1-5(9-10)11(13)14/h1,3H,2,4,7H2,(H,8,12)
InChI Key:
ZEETWLHPCCIISF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCC(=O)NN
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.071g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.17g/mol
Monoisotopic Mass:
199.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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