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78726-74-6 | Benzenesulfonylchloride, 3-chloro-4-methyl-5-nitro-
CAS No: 78726-74-6 Catalog No: AG005JUV MDL No:MFCD06655594
Product Description
Catalog Number:
AG005JUV
Chemical Name:
Benzenesulfonylchloride, 3-chloro-4-methyl-5-nitro-
CAS Number:
78726-74-6
Molecular Formula:
C7H5Cl2NO4S
Molecular Weight:
270.0899
MDL Number:
MFCD06655594
IUPAC Name:
3-chloro-4-methyl-5-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H5Cl2NO4S/c1-4-6(8)2-5(15(9,13)14)3-7(4)10(11)12/h2-3H,1H3
InChI Key:
XMJPTCBXPMZLLJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)Cl)S(=O)(=O)Cl
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.932g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.08g/mol
Monoisotopic Mass:
268.932g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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