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82810-71-7 | L-Phenylalanine,4-azido-3-iodo-
CAS No: 82810-71-7 Catalog No: AG004XRU MDL No:
Product Description
Catalog Number:
AG004XRU
Chemical Name:
L-Phenylalanine,4-azido-3-iodo-
CAS Number:
82810-71-7
Molecular Formula:
C9H9IN4O2
Molecular Weight:
332.0978
IUPAC Name:
(2S)-2-amino-3-(4-azido-3-iodophenyl)propanoic acid
InChI:
InChI=1S/C9H9IN4O2/c10-6-3-5(4-7(11)9(15)16)1-2-8(6)13-14-12/h1-3,7H,4,11H2,(H,15,16)/t7-/m0/s1
InChI Key:
MPMZGPJXNLUICZ-ZETCQYMHSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1I)C[C@@H](C(=O)O)N
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
331.977g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
332.101g/mol
Monoisotopic Mass:
331.977g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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