AG0052JB

793663-51-1 | (R)-3-Amino-3-(3-trifluoromethylphenyl)propanoic acid

AG0052JB

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CAS Number	793663-51-1
Catalog Number	AG0052JB(AGN-PC-0UEEMZ)
Chemical Name	(R)-3-Amino-3-(3-trifluoromethylphenyl)propanoic acid
IUPAC Name	(3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
InChI Key	WZXBASRNQXYUIP-MRVPVSSYSA-N
MDL Number	MFCD04113664
Molecular Formula	C10H10F3NO2
Molecular Weight	233.1871
SMILES	O=C(O)C[C@@H](N)C1=CC=CC(C(F)(F)F)=C1
Synonyms	793663-51-1, (R)-3-AMINO-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANOIC ACID, (3R)-3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid, (R)-3-Amino-3-(3-trifluoromethyl-phenyl)-propionic acid, (R)-3-Amino-3-(3-trifluoromethylphenyl)propionic acid, AK111358, PubChem15097, AC1MC5M7, Benzenepropanoic acid, b-amino-3-(trifluoromethyl)-, (bR)-, H-D-b-phe(3-CF3)-OH, CTK5E6720, KS-00000LLL, DTXSID30375874, ZINC169794, MFCD04113664, AKOS010393871, AB17758, AC-25360, AJ-17277, AN-27414, AX8047547, RT-005663, ST2402637, TL80073840, Z5974, (R)- 3-Amino-3-(3-bromophenyl)-propionic acid, 663A511, A839663, (R)-3-Amino-3-(3-trifluoromethylphenyl)-propionic acid, (R)-3-Amino-3-(3-trifluoromethylphenyl)propanoic acid, (3R)-3-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid, (R)-3-Amino-3-93-trifluoromethyl-phenyl)-propanoic acid, R-3-Amino-3-(3- trifluoromethyl -phenyl)-propionic acid, (R)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid, AldrichCPR, C10H10F3NO2, ACN-026221, CB11471, CID2761731, (R)-3-Amino-3-(3-bromophenyl)-propionic acid, 3-amino-3-[3-(trifluoromethyl)phenyl]propanoic acid,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	233.066g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	233.19g/mol
Monoisotopic Mass	233.066g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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