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115046-20-3

115046-20-3 | Benzene, (2-azido-1-fluoroethyl)-

CAS No: 115046-20-3 Catalog No: AG000FS6 MDL No:

Product Description

Catalog Number:
AG000FS6
Chemical Name:
Benzene, (2-azido-1-fluoroethyl)-
CAS Number:
115046-20-3
Molecular Formula:
C8H8FN3
Molecular Weight:
165.1676
IUPAC Name:
(2-azido-1-fluoroethyl)benzene
InChI:
InChI=1S/C8H8FN3/c9-8(6-11-12-10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
XPNDQAJMPIUAJB-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1)CN=[N+]=[N-]

Properties

Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.07g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.171g/mol
Monoisotopic Mass:
165.07g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

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