AG003FSO

94977-52-3 | (E)-3-(2,4-Difluorophenyl)acrylic acid

AG003FSO

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CAS Number	94977-52-3
Catalog Number	AG003FSO(AGN-PC-0OO085)
Chemical Name	(E)-3-(2,4-Difluorophenyl)acrylic acid
IUPAC Name	(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	PQDXPFJQTKGTFP-DUXPYHPUSA-N
MDL Number	MFCD00010317
Molecular Formula	C9H6F2O2
Molecular Weight	184.1395
SMILES	O=C(O)/C=C/C1=CC=C(F)C=C1F
Synonyms	2,4-Difluorocinnamic acid, 94977-52-3, trans-2,4-Difluorocinnamic acid, (E)-3-(2,4-difluorophenyl)acrylic acid, 774-73-2, 3-(2,4-Difluorophenyl)acrylic Acid, 2,4-Difluorocinnamicacid, (2E)-3-(2,4-difluorophenyl)prop-2-enoic acid, 3-(2,4-difluorophenyl)-2-propenoic acid, 3-(2,4-difluorophenyl)prop-2-enoic acid, (2e)-3-(2,4-difluorophenyl)acrylic acid, RARECHEM BK HW 0121, (E)-3-(2,4-difluorophenyl)prop-2-enoic acid, PQDXPFJQTKGTFP-DUXPYHPUSA-N, (2E)-3-(2,4-Difluorophenyl)-2-propenoic acid, MFCD00010317, 2-Propenoic acid, 3-(2,4-difluorophenyl)-, (2E)-, 2,4-difluoro-cinnamic acid, PubChem4333, 2,4-Difluorzimtsaure, AC1NT2RH, trans-2,4-difluorocinnamic, AC1Q71XZ, SCHEMBL716629, (E)-2,4-difluorocinnamic acid, PQDXPFJQTKGTFP-DUXPYHPUSA-, OTAVA-BB 1287962, ACT02261, ALBB-019500, ZINC2539343, ZX-AP010397, BBL021022, CK1148, SBB064515, STK893728, AKOS000138469, AKOS025149358, trans-2,4-difluorocinnamic acid 98%, AS01917, CD-1215, PC49232, PS-6472, RTR-029631, trans-2,4-Difluorocinnamic acid, 97%, trans-2,4-Difluorocinnamic acid, 98%, NCGC00337014-01, AC-26149, AJ-38853, AN-47574, BP-12672, N595, SC-57959, AB0015899, AB1010796, AX8007278, ST2402511, TR-024754, TR-029631, (E)-3-(2,4-Difluoro-phenyl)-acrylic acid, 4CH-018280, CS-0037496, ST50827836, W9716, C-4842, AB01330301-02, (2E)-3-(2,4-Difluorophenyl)-2-propenoic acid #, I01-5016, I01-6805, I04-0106, J-507215, InChI=1/C9H6F2O2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+, C9H6F2O2, ACN-042075, CID5374945, (E)-3-(2,4-Difluorophenyl)acrylicacid, D1074, trans-2,4-Difluorocinnamic acid, 98% - 1G 1g,

Complexity	216
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	184.034g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.142g/mol
Monoisotopic Mass	184.034g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P280a-P304+P340-P405-P501a-P261-P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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