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Home > Nitro Compounds > 1240572-49-9
1240572-49-9 | 3-nitro-1-(prop-2-en-1-yl)-1H-pyrazole
CAS No: 1240572-49-9 Catalog No: AG00JUYX MDL No:MFCD16810598
Product Description
Catalog Number:
AG00JUYX
Chemical Name:
3-nitro-1-(prop-2-en-1-yl)-1H-pyrazole
CAS Number:
1240572-49-9
Molecular Formula:
C6H7N3O2
Molecular Weight:
153.1387
MDL Number:
MFCD16810598
IUPAC Name:
3-nitro-1-prop-2-enylpyrazole
InChI:
InChI=1S/C6H7N3O2/c1-2-4-8-5-3-6(7-8)9(10)11/h2-3,5H,1,4H2
InChI Key:
RAVODFFBZNQRRJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CC=C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.141g/mol
Monoisotopic Mass:
153.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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