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88301-39-7 | Benzenesulfonyl chloride, 5-bromo-2-methoxy-4-nitro-
CAS No: 88301-39-7 Catalog No: AG004993 MDL No:
Product Description
Catalog Number:
AG004993
Chemical Name:
Benzenesulfonyl chloride, 5-bromo-2-methoxy-4-nitro-
CAS Number:
88301-39-7
Molecular Formula:
C7H5BrClNO5S
Molecular Weight:
330.5403
IUPAC Name:
5-bromo-2-methoxy-4-nitrobenzenesulfonyl chloride
InChI:
InChI=1S/C7H5BrClNO5S/c1-15-6-3-5(10(11)12)4(8)2-7(6)16(9,13)14/h2-3H,1H3
InChI Key:
QQDHRTHCHRWTCX-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1S(=O)(=O)Cl)Br
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.876g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.533g/mol
Monoisotopic Mass:
328.876g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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