AG0014F8

133220-86-7 | 2-​Propenoic acid, 3-​(2-​chloro-​4-​fluorophenyl)​-

AG0014F8

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CAS Number	133220-86-7
Catalog Number	AG0014F8(AGN-PC-0KK0KH)
Chemical Name	2-​Propenoic acid, 3-​(2-​chloro-​4-​fluorophenyl)​-
IUPAC Name	(E)-3-(2-chloro-4-fluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6ClFO2/c10-8-5-7(11)3-1-6(8)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	RJCWBTRMWGOREZ-DUXPYHPUSA-N
MDL Number	MFCD00236027
Molecular Formula	C9H6ClFO2
Molecular Weight	200.5941
SMILES	C(=CC(=O)O)c1c(Cl)cc(cc1)F
Synonyms	2-Chloro-4-fluorocinnamic acid, 133220-86-7, RARECHEM BK HW 0063, TIMTEC-BB SBB003541, MFCD00236027, 3-(2-CHLORO-4-FLUOROPHENYL)-2-PROPENOIC ACID, (2E)-3-(2-chloro-4-fluorophenyl)prop-2-enoic acid, 3-(2-Chloro-4-fluorophenyl)acrylic acid, PubChem3429, 3-(2-chloro-4-fluorophenyl)prop-2-enoic acid, AC1O2PRQ, 3-chloro-5-fluorobenzoic, SCHEMBL1167315, SCHEMBL1167316, RJCWBTRMWGOREZ-DUXPYHPUSA-N, 2-chloro-4-fluorocinnamicacid98%, ZINC156381, ZX-AP011253, 6057AA, PC8152, SBB003541, 2-chloro-4-fluorocinnamic acid 98%, AKOS015889749, AKOS025310213, AS02743, FCH1320414, FCH3288838, 2-chloro-4-fluorocinnamic acid, 99+%, AJ-13785, AK-33133, BBV-57293614, CC-09961, SC-20650, AB0065085, AX8007250, RT-007601, ST2416707, TL8000789, ST50319358, (E)-3-(2-chloro-4-fluoro-phenyl)-acrylic acid, (E)-3-(2-chloro-4-fluorophenyl)prop-2-enoic acid, 3-(2-CHLORO-4-FLUORO-PHENYL)-ACRYLIC ACID, I01-3114, (2E)-3-(2-chloro-4-fluorophenyl)-2-propenoic acid, 3-(2-chloro-4-fluorophenyl)prop-2-enoic acid, 3-(2-chloro-4-fluorophenyl)acrylic acid, C9H6ClFO2, 2-Chloro-4-fluorocinnamicacid, ACN-042078, CID6257297, (E)-3-(2-chloro-4-fluorophenyl)acrylic acid, 3-(2-chloro-4-fluoro-phenyl)prop-2-enoic Acid, 2-Propenoic acid, 3-(2-chloro-4-fluorophenyl)-, 174603-37-3,

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	2.4

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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