AG002JQ2

20846-39-3 | L-Phenylalanine, 3-iodo-

AG002JQ2

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CAS Number	20846-39-3
Catalog Number	AG002JQ2(AGN-PC-0O7OB0)
Chemical Name	L-Phenylalanine, 3-iodo-
IUPAC Name	(2S)-2-amino-3-(3-iodophenyl)propanoic acid
InChI	InChI=1S/C9H10INO2/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChI Key	BABTYIKKTLTNRX-QMMMGPOBSA-N
MDL Number	MFCD01860664
Molecular Formula	C9H10INO2
Molecular Weight	291.0857
SMILES	O=C(O)[C@@H](N)CC1=CC=CC(I)=C1
Synonyms	3-Iodo-L-Phenylalanine, 20846-39-3, (S)-2-Amino-3-(3-iodophenyl)propanoic acid, Phenylalanine, 3-iodo-, L-Phenylalanine, 3-iodo-, 3-iodophenylalanine, m-iodo-L-phenylalanine, SCHEMBL159870, CHEMBL3808935, CTK1A1739, DTXSID00587780, ZINC2385604, 0664AB, ANW-73144, MFCD01860664, AJ-35163, TC-161889, K-6030, (2S)-2-AMINO-3-(3-IODOPHENYL)PROPANOIC ACID, 33S, C9H10INO2, 20846-38-2,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	290.976g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	291.088g/mol
Monoisotopic Mass	290.976g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number