AG00397B

82311-69-1 | 3-Bromo-L-phenylalanine

AG00397B

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CAS Number	82311-69-1
Catalog Number	AG00397B(AGN-PC-0WA2V6)
Chemical Name	3-Bromo-L-phenylalanine
IUPAC Name	(2S)-2-amino-3-(3-bromophenyl)propanoic acid
InChI	InChI=1S/C9H10BrNO2/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	GDMOHOYNMWWBAU-QMMMGPOBSA-N
MDL Number	MFCD06659110
Molecular Formula	C9H10BrNO2
Molecular Weight	244.0852
SMILES	BrC=1C=C(C[C@H](N)C(=O)O)C=CC1
Synonyms	3-bromo-l-phenylalanine, 82311-69-1, (s)-2-amino-3-(3-bromophenyl)propanoic acid, L-3-Bromophenylalanine, h-phe(3-br)-oh, (2S)-2-amino-3-(3-bromophenyl)propanoic acid, l-3-bromophe, L-Phenylalanine, 3-bromo-, (S)-2-AMINO-3-(3-BROMOPHENYL)PROPIONIC ACID, MFCD06659110, (2S)-2-azanyl-3-(3-bromophenyl)propanoic acid, (S)-2-amino-3-(3'-bromophenyl)propanoic acid, 3-BR-L-PHE-OH, L-3-BR-PHE-OH, (S)-beta-(3-Bromophenyl)alanine, 3-Bromo-Phe-OH, 3-bromo-phenylalanine, (L)-Bromophenyl alanine, AC1MC6KW, Phenylalanine, 3-bromo-, (s)-3-bromophenylalanine, (l)-3-bromophenyl alanine, SCHEMBL44027, CHEMBL3809682, CTK1C2170, DTXSID50376126, GDMOHOYNMWWBAU-QMMMGPOBSA-N, KS-000025WV, ZINC3679860, ANW-58690, CB-858, AKOS012010389, AB25927, AC-5854, AL522-1, CS-W008183, FS-1311, LS30161, KS-00000J97, AJ-45317, AN-36168, BC004324, SC-10512, AB0031110, DB-016852, DB-068233, TC-147435, TL8002331, FT-0654521, ST24026548, X4044, Y6735, (2S)-2-amino-3-(3-bromophenyl)propionic acid, 63B203, M-1672, A840298, I01-5197, I01-6957, I01-9275, J-300373, 3-Bromophenylalanine, D-3-Bromophenylalanine, dl-3-Bromophenylalanine, C9H10BrNO2, (S)-3-Bromophenylalanine HCl Salt, ACN-033985, CB11635, CID2762259, 30163-20-3, (S)-2-Amino-3-(3-bromophenyl)propanoicacid, 275826-35-2, 615535-65-4, 99295-78-0,

Complexity	187
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	242.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.088g/mol
Monoisotopic Mass	242.989g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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