AG0037E5

31105-91-6 | 3,5-Difluoro-L-phenylalanine

AG0037E5

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CAS Number	31105-91-6
Catalog Number	AG0037E5(AGN-PC-0O8SZC)
Chemical Name	3,5-Difluoro-L-phenylalanine
IUPAC Name	(2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid
InChI	InChI=1S/C9H9F2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
InChI Key	QFGMPXZFCIHYIR-QMMMGPOBSA-N
MDL Number	MFCD01631987
Molecular Formula	C9H9F2NO2
Molecular Weight	201.1701
SMILES	FC=1C=C(C[C@H](N)C(=O)O)C=C(C1)F
Synonyms	3,5-difluoro-l-phenylalanine, 31105-91-6, H-PHE(3,5-DIF)-OH, (S)-2-Amino-3-(3,5-difluorophenyl)propanoic acid, L-3,5-Difluorophenylalanine, (2S)-2-amino-3-(3,5-difluorophenyl)propanoic acid, 3-(3,5-difluorophenyl)-L-alanine, L-3,5-DIFLUOROPHE, Phenylalanine, 3,5-difluoro-, MFCD01631987, (2S)-2-azanyl-3-[3,5-bis(fluoranyl)phenyl]propanoic acid, 1(S)-2-amino-3-(3,5-difluorophenyl)propanoic acid, L-3,5- Difluorophenylalanine, PubChem4078, PubChem4079, AC1LEQDL, AC1Q4NB3, SCHEMBL188321, L-Phenylalanine,3,5-difluoro-, (S)-3,5-difluoro-phenyalanine, CTK4G6397, DTXSID90351997, QFGMPXZFCIHYIR-QMMMGPOBSA-N, ZINC113771, ACT00043, BCP11545, KS-00000J9I, ANW-47465, CD-726, AKOS015853992, AB09417, AL530-1, CM13813, CS-W006069, AJ-11450, BC227284, BR-34622, DS-12615, AB0024120, TC-136210, FT-0658768, ST24032141, W5321, S-4894, (2S)-amino-3-(3,5-difluorophenyl)propionic acid, A820719, I01-6948, J-511328, (2S)-2-amino-3-(3,5-difluorophenyl)propionic acid, 3,5-difluorophenylalanine, DL-3,5-Difluoro-phe-OH, C9H9F2NO2, 3,5-Difluoro-L-phenylaniline, AR-1E9650, CID716307, ACN-026145, CB10087, 1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 2-amino-3-(3,5-difluorophenyl)propanoic Acid, (S)-2-Amino-3-(3,5-difluorophenyl)propanoicacid, (S)-2-Amino-3-(3,5-difluoro-phenyl)-propionic acid, 1877-71-0, 32133-37-2, 205526-24-5, 3236-63-3, 5744-56-9,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	201.06g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	201.173g/mol
Monoisotopic Mass	201.06g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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