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1005611-75-5 | 2-METHYL-3-(4-NITRO-PYRAZOL-1-YL)-PROPIONIC ACID HYDRAZIDE
CAS No: 1005611-75-5 Catalog No: AG01ANR6 MDL No:MFCD04967371
Product Description
Catalog Number:
AG01ANR6
Chemical Name:
2-METHYL-3-(4-NITRO-PYRAZOL-1-YL)-PROPIONIC ACID HYDRAZIDE
CAS Number:
1005611-75-5
Molecular Formula:
C7H11N5O3
Molecular Weight:
213.1939
MDL Number:
MFCD04967371
IUPAC Name:
2-methyl-3-(4-nitropyrazol-1-yl)propanehydrazide
InChI:
InChI=1S/C7H11N5O3/c1-5(7(13)10-8)3-11-4-6(2-9-11)12(14)15/h2,4-5H,3,8H2,1H3,(H,10,13)
InChI Key:
VIBQWSKYALQFNI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)CC(C(=O)NN)C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.086g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.197g/mol
Monoisotopic Mass:
213.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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