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Home > Nitro Compounds > 1803595-58-5
1803595-58-5 | 1-methyl-3,4-dinitro-1H-pyrazole-5-sulfonyl chloride
CAS No: 1803595-58-5 Catalog No: AG01ACLI MDL No:MFCD26408028
Product Description
Catalog Number:
AG01ACLI
Chemical Name:
1-methyl-3,4-dinitro-1H-pyrazole-5-sulfonyl chloride
CAS Number:
1803595-58-5
Molecular Formula:
C4H3ClN4O6S
Molecular Weight:
270.6078
MDL Number:
MFCD26408028
IUPAC Name:
2-methyl-4,5-dinitropyrazole-3-sulfonyl chloride
InChI:
InChI=1S/C4H3ClN4O6S/c1-7-4(16(5,14)15)2(8(10)11)3(6-7)9(12)13/h1H3
InChI Key:
COJANQMQZQHRCH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(nn(c1S(=O)(=O)Cl)C)[N+](=O)[O-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.946g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.6g/mol
Monoisotopic Mass:
269.946g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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