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Home > Nitro Compounds > 1394040-86-8
1394040-86-8 | 2-cyano-3-nitrobenzene-1-sulfonyl chloride
CAS No: 1394040-86-8 Catalog No: AG019ZRD MDL No:MFCD22375317
Product Description
Catalog Number:
AG019ZRD
Chemical Name:
2-cyano-3-nitrobenzene-1-sulfonyl chloride
CAS Number:
1394040-86-8
Molecular Formula:
C7H3ClN2O4S
Molecular Weight:
246.6277
MDL Number:
MFCD22375317
IUPAC Name:
2-cyano-3-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H3ClN2O4S/c8-15(13,14)7-3-1-2-6(10(11)12)5(7)4-9/h1-3H
InChI Key:
ZAZCMIQGQYTGSR-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1S(=O)(=O)Cl)[N+](=O)[O-]
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.621g/mol
Monoisotopic Mass:
245.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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