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Home > Nitro Compounds > 71466-62-1
71466-62-1 | 1-[3-Nitro-4-(phenylsulfonyl)phenyl]tricyclo[3.3.1.13,7]decane
CAS No: 71466-62-1 Catalog No: AG00FUOR MDL No:
Product Description
Catalog Number:
AG00FUOR
Chemical Name:
1-[3-Nitro-4-(phenylsulfonyl)phenyl]tricyclo[3.3.1.13,7]decane
CAS Number:
71466-62-1
IUPAC Name:
1-[4-(benzenesulfonyl)-3-nitrophenyl]adamantane
InChI:
InChI=1S/C22H23NO4S/c24-23(25)20-11-18(22-12-15-8-16(13-22)10-17(9-15)14-22)6-7-21(20)28(26,27)19-4-2-1-3-5-19/h1-7,11,15-17H,8-10,12-14H2
InChI Key:
GIZDWWUFANSDRL-UHFFFAOYSA-N
Properties
Complexity:
675
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.135g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
397.489g/mol
Monoisotopic Mass:
397.135g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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