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88345-70-4 | Benzoyl chloride, 4-(aminosulfonyl)-3-chloro-2-nitro-
CAS No: 88345-70-4 Catalog No: AG004605 MDL No:
Product Description
Catalog Number:
AG004605
Chemical Name:
Benzoyl chloride, 4-(aminosulfonyl)-3-chloro-2-nitro-
CAS Number:
88345-70-4
Molecular Formula:
C7H4Cl2N2O5S
Molecular Weight:
299.0881
IUPAC Name:
3-chloro-2-nitro-4-sulfamoylbenzoyl chloride
InChI:
InChI=1S/C7H4Cl2N2O5S/c8-5-4(17(10,15)16)2-1-3(7(9)12)6(5)11(13)14/h1-2H,(H2,10,15,16)
InChI Key:
UGTOHPZQQSMZRO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc(c1Cl)S(=O)(=O)N)C(=O)Cl
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.922g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
299.078g/mol
Monoisotopic Mass:
297.922g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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