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17691-65-5 | Benzene, 1-azido-2-(phenylmethyl)-
CAS No: 17691-65-5 Catalog No: AG0024ZU MDL No:
Product Description
Catalog Number:
AG0024ZU
Chemical Name:
Benzene, 1-azido-2-(phenylmethyl)-
CAS Number:
17691-65-5
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
1-azido-2-benzylbenzene
InChI:
InChI=1S/C13H11N3/c14-16-15-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
LCYXEURTJBNRRN-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccccc1Cc1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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