AG002LFL

22908-28-7 | Benzeneacetic acid, 5-chloro-2-nitro-

AG002LFL

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CAS Number	22908-28-7
Catalog Number	AG002LFL(AGN-PC-0JTJCI)
Chemical Name	Benzeneacetic acid, 5-chloro-2-nitro-
IUPAC Name	2-(5-chloro-2-nitrophenyl)acetic acid
InChI	InChI=1S/C8H6ClNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key	ISSGDBWGQCOTNA-UHFFFAOYSA-N
MDL Number	MFCD03206465
Molecular Formula	C8H6ClNO4
Molecular Weight	215.5905
SMILES	O=C(O)CC1=CC(Cl)=CC=C1[N+]([O-])=O
Synonyms	2-(5-chloro-2-nitrophenyl)acetic acid, 22908-28-7, (5-chloro-2-nitrophenyl)acetic acid, Benzeneacetic acid, 5-chloro-2-nitro-, 5-Chloro-2-nitrophenylacetic acid, AC1LCAX1, Oprea1_101489, SCHEMBL6100112, CTK8B4696, DTXSID40344576, ISSGDBWGQCOTNA-UHFFFAOYSA-N, 2-Nitro-5-chlorobenzeneacetic acid, ANW-45907, ZINC32208269, AKOS015998912, NE45186, AJ-85009, AK-86741, SC-32651, SY019942, TC-134652, ST24021799, W4660, MFCD03206465 (95%), (5-CHLORO-2-NITRO-PHENYL)-ACETIC ACID, C8H6ClNO4, CID597995, ACN-040313,

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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