AG01DTHO

2061980-53-6 | 3-Amino-3-(4-bromo-3-fluorophenyl)propanoic acid hydrochloride

AG01DTHO

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CAS Number	2061980-53-6
Catalog Number	AG01DTHO
Chemical Name	3-Amino-3-(4-bromo-3-fluorophenyl)propanoic acid hydrochloride
IUPAC Name	3-amino-3-(4-bromo-3-fluorophenyl)propanoic acid;hydrochloride
InChI	InChI=1S/C9H9BrFNO2.ClH/c10-6-2-1-5(3-7(6)11)8(12)4-9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H
InChI Key	RWJRLCWDUABOIF-UHFFFAOYSA-N
MDL Number	MFCD30609570
Molecular Formula	C9H10BrClFNO2
Molecular Weight	298.5366
SMILES	O=C(O)CC(N)C1=CC=C(Br)C(F)=C1.[H]Cl
Synonyms	3-Amino-3-(4-bromo-3-fluorophenyl)propanoic acid hydrochloride, 2061980-53-6, KS-00000U3W, MFCD30609570, AKOS030632974, AK608034, DS-19805,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	296.957g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	298.536g/mol
Monoisotopic Mass	296.957g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

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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