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Home > Nitro Compounds > 1170438-42-2
1170438-42-2 | 1-(4-Methyl-3-nitro-1H-pyrazol-1-yl)butan-2-one
CAS No: 1170438-42-2 Catalog No: AG00HDRZ MDL No:MFCD12027262
Product Description
Catalog Number:
AG00HDRZ
Chemical Name:
1-(4-Methyl-3-nitro-1H-pyrazol-1-yl)butan-2-one
CAS Number:
1170438-42-2
Molecular Formula:
C8H11N3O3
Molecular Weight:
197.1912
MDL Number:
MFCD12027262
IUPAC Name:
1-(4-methyl-3-nitropyrazol-1-yl)butan-2-one
InChI:
InChI=1S/C8H11N3O3/c1-3-7(12)5-10-4-6(2)8(9-10)11(13)14/h4H,3,5H2,1-2H3
InChI Key:
BPFVXLQSUDOQAQ-UHFFFAOYSA-N
SMILES:
CCC(=O)Cn1cc(c(n1)[N+](=O)[O-])C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.194g/mol
Monoisotopic Mass:
197.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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