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54467-96-8 | 1-Azido-3-iodobenzene solution
CAS No: 54467-96-8 Catalog No: AG003DYN MDL No:MFCD11207348
Product Description
Catalog Number:
AG003DYN
Chemical Name:
1-Azido-3-iodobenzene solution
CAS Number:
54467-96-8
Molecular Formula:
C6H4IN3
Molecular Weight:
245.0205
MDL Number:
MFCD11207348
IUPAC Name:
1-azido-3-iodobenzene
InChI:
InChI=1S/C6H4IN3/c7-5-2-1-3-6(4-5)9-10-8/h1-4H
InChI Key:
LWYZABCCGZNMGK-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cccc(c1)I
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.023g/mol
Monoisotopic Mass:
244.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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