AG002BRL

19883-74-0 | L-Phenylalanine, 3-nitro-

AG002BRL

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CAS Number	19883-74-0
Catalog Number	AG002BRL(AGN-PC-0O6V0W)
Chemical Name	L-Phenylalanine, 3-nitro-
IUPAC Name	(2S)-2-amino-3-(3-nitrophenyl)propanoic acid
InChI	InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
InChI Key	YTHDRUZHNYKZGF-QMMMGPOBSA-N
MDL Number	MFCD01860661
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
SMILES	OC(=O)[C@H](Cc1cccc(c1)[N+](=O)[O-])N
Synonyms	19883-74-0, (S)-2-amino-3-(3-nitrophenyl)propanoic acid, 3-Nitro-L-phenylalanine, L-3-NITROPHENYLALANINE, L-3-Nitrophe, L-3-Nitro Phenylalanine, (2S)-2-amino-3-(3-nitrophenyl)propanoic acid, 3-nitrophenylalanine, MFCD01860661, L-3-NO2-Phe-OH, NSC-21948, AK106111, Melphalan Impurity 2, AC1MC5SZ, H-Phe(3-NO2)-OH, L-Phenylalanine, 3-nitro-, NCIStruc1_000602, NCIStruc2_000493, SCHEMBL44005, (S)-b-(3-nitrophenyl)alanine, CHEMBL1449772, CTK0I2423, BCP11570, KS-00000J2B, NCI21948, ZINC1584113, ZX-AT014731, ANW-73161, CCG-37980, NCGC00013280, AKOS015891099, AC-7951, AM83445, OR14707, NCGC00013280-02, NCGC00096399-01, AJ-27520, AS-19756, BBV-45071600, AB0039279, AX8019180, DB-016862, RT-024081, CS-0042825, FT-0696021, Y6716, (S)-2-Amino-3-(3-nitrophenyl)propionic acid, W-4062, 883N740, I01-8302, J-012842, L-3- Nitrophenylalanine, D-3-NITROPHENYLALANINE, (S)-beta-(3-Nitrophenyl)alanine, C9H10N2O4, NSC21948, ACN-026153, CID2761812, (S)-2-Amino-3-(3-nitrophenyl)propanoicacid, 169530-97-6, 734529-57-8,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	210.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	210.189g/mol
Monoisotopic Mass	210.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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