AG002M44

23066-21-9 | 3-Chloro-2-nitrophenylacetic acid

AG002M44

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CAS Number	23066-21-9
Catalog Number	AG002M44(AGN-PC-00JOQS)
Chemical Name	3-Chloro-2-nitrophenylacetic acid
IUPAC Name	2-(3-chloro-2-nitrophenyl)acetic acid
InChI	InChI=1S/C8H6ClNO4/c9-6-3-1-2-5(4-7(11)12)8(6)10(13)14/h1-3H,4H2,(H,11,12)
InChI Key	BLJTYQBHLXPJPG-UHFFFAOYSA-N
MDL Number	MFCD03424331
Molecular Formula	C8H6ClNO4
Molecular Weight	215.5905
SMILES	ClC1C=CC=C(CC(O)=O)C=1[N+](=O)[O-]
Synonyms	3-Chloro-2-nitrophenylacetic acid, 23066-21-9, 2-(3-CHLORO-2-NITROPHENYL)ACETIC ACID, Benzeneacetic acid, 3-chloro-2-nitro-, SCHEMBL11037768, CTK1A1378, KS-00000CGU, 3-Chloro-2-nitrophenylaceticAcid, DTXSID80475717, 3-Chloro-2-nitrobenzeneacetic acid, ZINC2573850, ANW-46045, MFCD03424331, RW3050, AKOS015998752, AC-7231, AN-9180, CC-2137, FCH1335129, QC-2160, TRA0095090, ACM23066219, 2-(3-chloro-2-nitro-phenyl)acetic acid, AJ-42165, AS-31138, SC-27125, SY005264, AB0005820, AX8085700, DB-027461, ST2403887, TC-071403, FT-0698056, W4689, K-6376, MFCD03424331 (97+%), 066C219, C8H6ClNO4, 110-02-1,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.999g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.589g/mol
Monoisotopic Mass	214.999g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	83.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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