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Home > Nitro Compounds > 98279-07-3
98279-07-3 | 4-cyano-2-nitrobenzene-1-sulfonyl chloride
CAS No: 98279-07-3 Catalog No: AG01AKKF MDL No:MFCD16093690
Product Description
Catalog Number:
AG01AKKF
Chemical Name:
4-cyano-2-nitrobenzene-1-sulfonyl chloride
CAS Number:
98279-07-3
Molecular Formula:
C7H3ClN2O4S
Molecular Weight:
246.6277
MDL Number:
MFCD16093690
IUPAC Name:
4-cyano-2-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H3ClN2O4S/c8-15(13,14)7-2-1-5(4-9)3-6(7)10(11)12/h1-3H
InChI Key:
MUFCPNUZSLHPNT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl
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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