AG004SV5

85038-45-5 | Glycine,N-(2-chloro-1-oxopropyl)-

AG004SV5

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CAS Number	85038-45-5
Catalog Number	AG004SV5(AGN-PC-02Z8Q1)
Chemical Name	Glycine,N-(2-chloro-1-oxopropyl)-
IUPAC Name	2-(2-chloropropanoylamino)acetic acid
InChI	InChI=1S/C5H8ClNO3/c1-3(6)5(10)7-2-4(8)9/h3H,2H2,1H3,(H,7,10)(H,8,9)
InChI Key	UBXUBYOEZMEUPZ-UHFFFAOYSA-N
MDL Number	MFCD09033216
Molecular Formula	C5H8ClNO3
Molecular Weight	165.5749
SMILES	O=C(O)CNC(C(Cl)C)=O
Synonyms	2-Chloropropionylglycine, 85038-45-5, 2-(2-Chloropropanamido)acetic acid, N-(2-Chloro-1-oxopropyl)glycine, Glycine,N-(2-chloro-1-oxopropyl)-, 2-Chloropropanylglycine, PubChem14384, N-(2-Chloropropanoyl)glycine, N-(beta-chloropropanoyl)glycine, SCHEMBL11051796, CTK5F3861, DTXSID90607401, UBXUBYOEZMEUPZ-UHFFFAOYSA-N, (2-Chloropropionyl)aminoacetic acid, CC-016, MFCD09033216, AKOS015967233, Glycine, N-(2-chloro-1-oxopropyl)-, AK401876, DS-13342, K520, SC-73815, SY129805, FT-0694498, MFCD09033216 (95%), 038C455, C5H8ClNO3, N-(2-Chloropropionyl)glycine,

Complexity	148
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.019g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.573g/mol
Monoisotopic Mass	165.019g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.2

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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