AG01DU6J

2097958-02-4 | METHYL (3R)-3-AMINO-3-(3,4-DICHLOROPHENYL)PROPANOATE HYDROCHLORIDE

AG01DU6J

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CAS Number	2097958-02-4
Catalog Number	AG01DU6J
Chemical Name	METHYL (3R)-3-AMINO-3-(3,4-DICHLOROPHENYL)PROPANOATE HYDROCHLORIDE
IUPAC Name	methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
InChI	InChI=1S/C10H11Cl2NO2.ClH/c1-15-10(14)5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9H,5,13H2,1H3;1H
InChI Key	DJSSFGWNYRSXFO-UHFFFAOYSA-N
MDL Number	MFCD24413313
Molecular Formula	C10H12Cl3NO2
Molecular Weight	284.5668
SMILES	O=C(OC)C[C@@H](N)C1=CC=C(Cl)C(Cl)=C1.[H]Cl
Synonyms	(R)-Methyl 3-amino-3-(3,4-dichlorophenyl)propanoate hydrochloride, 2097958-02-4, ZX-AV000164, AK687518, METHYL3-AMINO-3-(3,4-DICHLOROPHENYL)PROPANOATE HCL, 124082-20-8,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	282.993g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	284.561g/mol
Monoisotopic Mass	282.993g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^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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