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Home > Nitro Compounds > 1250886-68-0
1250886-68-0 | 6-nitropyridine-3-sulfonyl chloride
CAS No: 1250886-68-0 Catalog No: AG01AI39 MDL No:MFCD16093673
Product Description
Catalog Number:
AG01AI39
Chemical Name:
6-nitropyridine-3-sulfonyl chloride
CAS Number:
1250886-68-0
Molecular Formula:
C5H3ClN2O4S
Molecular Weight:
222.6063
MDL Number:
MFCD16093673
IUPAC Name:
6-nitropyridine-3-sulfonyl chloride
InChI:
InChI=1S/C5H3ClN2O4S/c6-13(11,12)4-1-2-5(7-3-4)8(9)10/h1-3H
InChI Key:
VPVWJORISZTRPU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cn1)S(=O)(=O)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.95g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.599g/mol
Monoisotopic Mass:
221.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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