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81038-28-0 | 4-nitro-1-tosylindol
CAS No: 81038-28-0 Catalog No: AG00G7PX MDL No:
Product Description
Catalog Number:
AG00G7PX
Chemical Name:
4-nitro-1-tosylindol
CAS Number:
81038-28-0
IUPAC Name:
1-(4-methylphenyl)sulfonyl-4-nitroindole
InChI:
InChI=1S/C15H12N2O4S/c1-11-5-7-12(8-6-11)22(20,21)16-10-9-13-14(16)3-2-4-15(13)17(18)19/h2-10H,1H3
InChI Key:
IZJPEYFMAAJLKN-UHFFFAOYSA-N
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.052g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.331g/mol
Monoisotopic Mass:
316.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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