AG003IMX

84315-23-1 | 3-(3,5-Difluorophenyl)acrylic acid

AG003IMX

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CAS Number	84315-23-1
Catalog Number	AG003IMX(AGN-PC-09CQXT)
Chemical Name	3-(3,5-Difluorophenyl)acrylic acid
IUPAC Name	(E)-3-(3,5-difluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6F2O2/c10-7-3-6(1-2-9(12)13)4-8(11)5-7/h1-5H,(H,12,13)/b2-1+
InChI Key	MBAWRXICVNIUGY-OWOJBTEDSA-N
MDL Number	MFCD00010321
Molecular Formula	C9H6F2O2
Molecular Weight	184.1395
SMILES	OC(=O)C=CC1=CC(F)=CC(F)=C1
Synonyms	3,5-Difluorocinnamic acid, trans-3,5-Difluorocinnamic acid, 84315-23-1, 147700-58-1, 3,5-Difluorocinnamicacid, (E)-3-(3,5-difluorophenyl)acrylic acid, 3-(3,5-Difluorophenyl)acrylic acid, (2E)-3-(3,5-difluorophenyl)acrylic acid, (2E)-3-(3,5-difluorophenyl)prop-2-enoic acid, RARECHEM BK HW 0255, TIMTEC-BB SBB006675, MBAWRXICVNIUGY-OWOJBTEDSA-N, MFCD00010321, 2-Propenoic acid, 3-(3,5-difluorophenyl)-, (2E)-, 3-(3,5-difluorophenyl)propenoic acid, trans-3-(3,5-Difluorophenyl)acrylic Acid, (2E)-3-(3,5-Difluorophenyl)-2-propenoic acid, AT-419/43492646, ATTERCOP-CHM AT114911, 3-(3,5-difluorophenyl)prop-2-enoic acid, PubChem4345, AC1NT2R8, 3,5 - Difluorocinnamic acid, AC1Q71G0, AC1Q71G1, 3,5-difluorocinnamic acid,98%, 3,5-Difluoro-trans-cinnamic acid, 3,5-Difluorocinnamic acid, 98%, ZINC165548, ZX-AP003978, PC2766, SBB006675, AKOS015852996, AS01920, AS03301, CD-1217, FCH3414178, FCH5305555, PS-6476, VZ25773, VZ36957, trans-3,5-Difluorocinnamic acid, 99%, AJ-16408, AK-36518, BBV-32809306, I695, AB0013837, AB1003791, DB-056781, RT-016086, ST2417353, TL8005511, TR-026081, (E)-3-(3,5-Difluoro-phenyl)-acrylic acid, (trans)-3-(3,5-difluorophenyl)acrylic acid, D4156, ST50307050, EN300-86542, (E)-3-(3,5-difluorophenyl)prop-2-enoic acid, C-4844, M-2538, Y-8868, (2E)-3-(3,5-Difluorophenyl)-2-propenoic acid #, I01-4973, J-008394, null, 2,6-Difluorocinnamic acid, trans-3,5-Difluorocinnamicacid, C9H6F2O2, RARECHEM BK HW 0116, TIMTEC-BB SBB006676, trans-2,6-Difluorocinnamic acid, ATTERCOP-CHM AT114907, ACN-042058, CID5374941, 3-(2,6-difluoro-phenyl)-acrylic acid, 3-(2,6-difluorophenyl)prop-2-enoic acid, (2E)-3-(2,6-difluorophenyl)acrylic acid, D1166, 2-Propenoic acid, 3-(3,5-difluorophenyl)-, 3,5-Difluorocinnamic acid, 98% - 25G 25g, A10131,

Complexity	206
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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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