AG002S11

261762-62-3 | 2-Propenoic acid, 3-(3-chloro-2-fluorophenyl)-

AG002S11

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CAS Number	261762-62-3
Catalog Number	AG002S11(AGN-PC-0KKVKX)
Chemical Name	2-Propenoic acid, 3-(3-chloro-2-fluorophenyl)-
IUPAC Name	(E)-3-(3-chloro-2-fluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6ClFO2/c10-7-3-1-2-6(9(7)11)4-5-8(12)13/h1-5H,(H,12,13)/b5-4+
InChI Key	OJNDJHBNODEMSG-SNAWJCMRSA-N
MDL Number	MFCD01631392
Molecular Formula	C9H6ClFO2
Molecular Weight	200.5941
SMILES	O=C(O)C=CC=1C=CC=C(Cl)C1F
Synonyms	3-Chloro-2-fluorocinnamic acid, 261762-62-3, (E)-3-(3-chloro-2-fluorophenyl)acrylic acid, (2E)-3-(3-chloro-2-fluorophenyl)prop-2-enoic acid, 695187-15-6, 3-(3-Chloro-2-fluorophenyl)acrylic acid, AK198727, PubChem7112, 3-(3-chloro-2-fluorophenyl)prop-2-enoic acid, AC1NWMRN, SCHEMBL6822168, DTXSID90420753, OJNDJHBNODEMSG-SNAWJCMRSA-N, JRD-1086, ZINC2575002, ZX-AP010962, 8638AD, MFCD01631392, PC0081, SBB092666, AKOS015848634, FCH1321343, FCH3288841, JS-4185, ACM261762623, BBV-51286820, TR-039789, 3-(3-chloro-2-fluoro-phenyl)-acrylic acid, (E)-3-(3-chloro-2-fluoro-phenyl)-acrylic acid, 2-Propenoic acid, 3-(3-chloro-2-fluorophenyl)-, A818261, (E)-3-(3-chloro-2-fluorophenyl)-2-propenoic acid, (E)-3-(3-chloro-2-fluorophenyl)prop-2-enoic acid, (E)-3-(3-Chloro-2-fluoro-phenyl)prop-2-enoic acid, (E)-3-(3-chloranyl-2-fluoranyl-phenyl)prop-2-enoic acid, 2-Propenoic acid, 3-(3-chloro-2-fluorophenyl)-, (2E)-, C9H6ClFO2, CID5708402, 3-(3-chloro-2-fluoro-phenyl)prop-2-enoic Acid,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	200.004g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.593g/mol
Monoisotopic Mass	200.004g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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