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Home > Nitro Compounds > 1423034-88-1
1423034-88-1 | 1-ethyl-3-nitro-1H-pyrazole-4-sulfonyl chloride
CAS No: 1423034-88-1 Catalog No: AG019VKT MDL No:MFCD22421918
Product Description
Catalog Number:
AG019VKT
Chemical Name:
1-ethyl-3-nitro-1H-pyrazole-4-sulfonyl chloride
CAS Number:
1423034-88-1
Molecular Formula:
C5H6ClN3O4S
Molecular Weight:
239.6368
MDL Number:
MFCD22421918
IUPAC Name:
1-ethyl-3-nitropyrazole-4-sulfonyl chloride
InChI:
InChI=1S/C5H6ClN3O4S/c1-2-8-3-4(14(6,12)13)5(7-8)9(10)11/h3H,2H2,1H3
InChI Key:
LCBABZOHESRHRJ-UHFFFAOYSA-N
SMILES:
CCn1cc(c(n1)[N+](=O)[O-])S(=O)(=O)Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.977g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.63g/mol
Monoisotopic Mass:
238.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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