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Home > Nitro Compounds > 71466-60-9
71466-60-9 | 1-[4-[(1-Methylethyl)sulfonyl]-3-nitrophenyl]tricyclo[3.3.1.13,7]decane
CAS No: 71466-60-9 Catalog No: AG00FUOP MDL No:
Product Description
Catalog Number:
AG00FUOP
Chemical Name:
1-[4-[(1-Methylethyl)sulfonyl]-3-nitrophenyl]tricyclo[3.3.1.13,7]decane
CAS Number:
71466-60-9
IUPAC Name:
1-(3-nitro-4-propan-2-ylsulfonylphenyl)adamantane
InChI:
InChI=1S/C19H25NO4S/c1-12(2)25(23,24)18-4-3-16(8-17(18)20(21)22)19-9-13-5-14(10-19)7-15(6-13)11-19/h3-4,8,12-15H,5-7,9-11H2,1-2H3
InChI Key:
SXVLCKSXWWXCDO-UHFFFAOYSA-N
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.15g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.472g/mol
Monoisotopic Mass:
363.15g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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