AG002DOD

18944-77-9 | 2-Propenoic acid, 3-(2-fluorophenyl)-, (2E)-

AG002DOD

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CAS Number	18944-77-9
Catalog Number	AG002DOD(AGN-PC-0O5YT5)
Chemical Name	2-Propenoic acid, 3-(2-fluorophenyl)-, (2E)-
IUPAC Name	(E)-3-(2-fluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+
InChI Key	IOUDZAFBPDDAMK-AATRIKPKSA-N
MDL Number	MFCD00004370
Molecular Formula	C9H7FO2
Molecular Weight	166.1491
NSC Number	73989
SMILES	O=C(O)/C=C/C1=CC=CC=C1F
Synonyms	2-fluorocinnamic acid, 2-fluorocinnamic acid, (E)-isomer, ortho-fluorocinnamate, 2-Fluorocinnamic acid, 451-69-4, o-Fluorocinnamic acid, Cinnamic acid, o-fluoro-, 2-Propenoic acid, 3-(2-fluorophenyl)-, (2E)-3-(2-fluorophenyl)prop-2-enoic acid, 3-(2-fluoro-phenyl)-acrylic acid, (2e)-3-(2-fluorophenyl)acrylic acid, 18944-77-9, 3-(2-Fluorophenyl)acrylic acid, EINECS 207-195-3, MFCD00004370, 3-(2-fluorophenyl)-2-propenoic acid, BRN 1863963, 3-(2-fluorophenyl)prop-2-enoic acid, 2-Fluorocinnamic acid, 98%, 2-PROPENOIC ACID, 3-(2-FLUOROPHENYL)-, (2E)-, 3-(2-Fluorophenyl)propenoic acid, IOUDZAFBPDDAMK-AATRIKPKSA-N, (E)-3-(2-fluorophenyl)prop-2-enoic acid, (2E)-3-(2-Fluorophenyl)-2-propenoic acid, ortho-Fluorocinnamate, 20595-29-3, o-Fluorzimtsaure, PubChem3488, AC1LEGRH, AC1Q4O2J, AC1Q4O3X, AC1Q71FA, trans-2-fluorocinnamic acid, SCHEMBL79637, trans-2-fluoro-cinnamic acid, RARECHEM BK HC T305, DTXSID9075408, IOUDZAFBPDDAMK-AATRIKPKSA-, ZINC153566, Cinnamic acid, o-fluoro-, (Z)-, ALBB-011736, NSC73989, ZX-AP011234, BBL016304, NSC-73989, PC3730, SBB061928, STK399773, AKOS000113544, AS01282, CS-W014304, RP17407, RTR-033540, (e)-3-(2-fluoro-phenyl)-acrylic acid, OTAVA-BB 7020400348, NCGC00337139-01, AC-14118, AJ-13028, AN-44959, LS-54106, MS-10591, SC-45975, AB0011962, AB0068059, AX8011572, TL8003132, TR-033540, F0248, ST24028276, ST50585965, B-7601, C-4560, Y-9195, AB01331330-02, I04-2805, J-640233, J-800234, Q-102018, F0001-0681, InChI=1/C9H7FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6H,(H,11,12)/b6-5+, 2-fluorocinnamicacid, C9H7FO2, 4-Fluorobenzoic acid ethyl ester, C9-H7-F-O2, KST-1A4906, 1-(4-bromobutoxy)-2-chlorobenzene, EINECS 242-697-6, AR-1A2295, AR-1E6237, CID735833, (E)-3-(2-Fluorophenyl)acrylic acid, (E)-3-(3-fluorophenyl)prop-2-enoic acid, 2-Fluorocinnamic acid, 98% - 25G 25g, 0-09-00-00594 (Beilstein Handbook Reference), 46118-95-0, 4852-21-5,

Complexity	189
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	166.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.151g/mol
Monoisotopic Mass	166.043g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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