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122099-10-9

122099-10-9 | Benzene, 1-azido-2-iodo-4-methyl-

CAS No: 122099-10-9 Catalog No: AG0016R8 MDL No:

Product Description

Catalog Number:
AG0016R8
Chemical Name:
Benzene, 1-azido-2-iodo-4-methyl-
CAS Number:
122099-10-9
Molecular Formula:
C7H6IN3
Molecular Weight:
259.0471
IUPAC Name:
1-azido-2-iodo-4-methylbenzene
InChI:
InChI=1S/C7H6IN3/c1-5-2-3-7(10-11-9)6(8)4-5/h2-4H,1H3
InChI Key:
BNNIMNBSCUGXJY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1I)C

Properties

Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.961g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.05g/mol
Monoisotopic Mass:
258.961g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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