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512810-12-7 | 3-(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)PROPANOHYDRAZIDE
CAS No: 512810-12-7 Catalog No: AG01ANKA MDL No:MFCD03419668
Product Description
Catalog Number:
AG01ANKA
Chemical Name:
3-(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)PROPANOHYDRAZIDE
CAS Number:
512810-12-7
Molecular Formula:
C8H13N5O3
Molecular Weight:
227.2205
MDL Number:
MFCD03419668
IUPAC Name:
3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanehydrazide
InChI:
InChI=1S/C8H13N5O3/c1-5-8(13(15)16)6(2)12(11-5)4-3-7(14)10-9/h3-4,9H2,1-2H3,(H,10,14)
InChI Key:
BCABNIRNBURSJH-UHFFFAOYSA-N
SMILES:
NNC(=O)CCn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.102g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.224g/mol
Monoisotopic Mass:
227.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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