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20646-94-0

20646-94-0 | 2-Naphthalenecarbamic acid, 1,2β,3,4,5,6,7,8-octahydro-3β-iodo-, methyl ester (8CI)

CAS No: 20646-94-0 Catalog No: AG002II9 MDL No:

Product Description

Catalog Number:
AG002II9
Chemical Name:
2-Naphthalenecarbamic acid, 1,2β,3,4,5,6,7,8-octahydro-3β-iodo-, methyl ester (8CI)
CAS Number:
20646-94-0
IUPAC Name:
methyl N-(3-iodo-1,2,3,4,5,6,7,8-octahydronaphthalen-2-yl)carbamate
InChI:
InChI=1S/C12H18INO2/c1-16-12(15)14-11-7-9-5-3-2-4-8(9)6-10(11)13/h10-11H,2-7H2,1H3,(H,14,15)
InChI Key:
BOHVNHJVNTVKPU-UHFFFAOYSA-N
NSC Number:
135325

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.038g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
335.185g/mol
Monoisotopic Mass:
335.038g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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