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Home > Nitro Compounds > 71466-61-0
71466-61-0 | 1-[4-[(3-Methylphenyl)sulfonyl]-3-nitrophenyl]tricyclo[3.3.1.13,7]decane
CAS No: 71466-61-0 Catalog No: AG00FUOQ MDL No:
Product Description
Catalog Number:
AG00FUOQ
Chemical Name:
1-[4-[(3-Methylphenyl)sulfonyl]-3-nitrophenyl]tricyclo[3.3.1.13,7]decane
CAS Number:
71466-61-0
IUPAC Name:
1-[4-(3-methylphenyl)sulfonyl-3-nitrophenyl]adamantane
InChI:
InChI=1S/C23H25NO4S/c1-15-3-2-4-20(7-15)29(27,28)22-6-5-19(11-21(22)24(25)26)23-12-16-8-17(13-23)10-18(9-16)14-23/h2-7,11,16-18H,8-10,12-14H2,1H3
InChI Key:
GTBLYDQTIOXTIL-UHFFFAOYSA-N
Properties
Complexity:
711
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.15g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
411.516g/mol
Monoisotopic Mass:
411.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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