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Home > Nitro Compounds > 71466-63-2
71466-63-2 | 1-[4-[(1-Methylethyl)sulfonyl]-3,5-dinitrophenyl]tricyclo[3.3.1.13,7]decane
CAS No: 71466-63-2 Catalog No: AG00FUOS MDL No:
Product Description
Catalog Number:
AG00FUOS
Chemical Name:
1-[4-[(1-Methylethyl)sulfonyl]-3,5-dinitrophenyl]tricyclo[3.3.1.13,7]decane
CAS Number:
71466-63-2
IUPAC Name:
1-(3,5-dinitro-4-propan-2-ylsulfonylphenyl)adamantane
InChI:
InChI=1S/C19H24N2O6S/c1-11(2)28(26,27)18-16(20(22)23)6-15(7-17(18)21(24)25)19-8-12-3-13(9-19)5-14(4-12)10-19/h6-7,11-14H,3-5,8-10H2,1-2H3
InChI Key:
FOWLBDGIGTUBIU-UHFFFAOYSA-N
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.136g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
408.469g/mol
Monoisotopic Mass:
408.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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