AG003UVS

112898-33-6 | (E)-3-(2,5-Difluorophenyl)acrylic acid

AG003UVS

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CAS Number	112898-33-6
Catalog Number	AG003UVS(AGN-PC-0NY1G7)
Chemical Name	(E)-3-(2,5-Difluorophenyl)acrylic acid
IUPAC Name	(E)-3-(2,5-difluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6F2O2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h1-5H,(H,12,13)/b4-1+
InChI Key	XAWHCSKPALFWBI-DAFODLJHSA-N
MDL Number	MFCD00010318
Molecular Formula	C9H6F2O2
Molecular Weight	184.1395
SMILES	OC(=O)C=CC1=C(F)C=CC(F)=C1
Synonyms	trans-2,5-Difluorocinnamic acid, 112898-33-6, 2,5-Difluorocinnamic acid, (E)-3-(2,5-Difluorophenyl)acrylic acid, 2,5-difluorocinnamicacid, 3-(2,5-difluorophenyl)prop-2-enoic acid, 3-(2,5-difluoro-phenyl)-acrylic acid, (2E)-3-(2,5-difluorophenyl)prop-2-enoic acid, 3-(2,5-Difluorophenyl)acrylic acid, (2E)-3-(2,5-Difluorophenyl)acrylic acid, XAWHCSKPALFWBI-DAFODLJHSA-N, MFCD00010318, 375368-88-0, (E)-3-(2,5-difluorophenyl)prop-2-enoic acid, trans-3-(2,5-Difluorophenyl)prop-2-enoic acid, 2-Propenoic acid, 3-(2,5-difluorophenyl)-, (2E)-, PubChem4336, AC1MBYKD, (2E)-3-(2,5-Difluorophenyl)-2-propenoic acid, SCHEMBL65190, AC1Q71F9, RARECHEM AL BK 0214, ZINC156045, JRD-0250, CD-949, FC1045, SBB063827, AKOS009158337, AN-6069, AS01918, CM13577, NE57590, PS-6473, RTR-002498, trans-2,5-Difluorocinnamic acid, 98%, NCGC00337138-01, AC-26150, AJ-13672, N599, SC-46689, AB0015902, DB-041134, TL8000377, TR-002498, ST24035029, ST50411827, EN300-53906, AB01331123-02, (2E)-3-(2,5-Difluorophenyl)-2-propenoic acid #, I01-3033, J-002867, (2E) 3-(2,5-DIFLUOROPHENYL)-2-PROPENOIC ACID, F0001-0277, C9H6F2O2, ACN-042084, CID2733299, (E)-3-(2,5-Difluorophenyl)acrylicacid, trans-2,5-Difluorocinnamic acid, 98% - 1G 1g, 178312-47-5, 37368-88-0,

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	P261-P305+P351+P338
UN Code

Certificate of Analysis

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