AG001RWG

160434-49-1 | 2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-

AG001RWG

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CAS Number	160434-49-1
Catalog Number	AG001RWG(AGN-PC-094J2P)
Chemical Name	2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-
EC Number	605-209-6
IUPAC Name	(E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6BrFO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	ZNIGVADAKXOMQH-DUXPYHPUSA-N
MDL Number	MFCD00143095
Molecular Formula	C9H6BrFO2
Molecular Weight	245.0451
SMILES	C(=CC(=O)O)c1cc(Br)c(cc1)F
Synonyms	3-Bromo-4-fluorocinnamic acid, 160434-49-1, 3-(3-Bromo-4-fluoro-phenyl)-acrylic acid, (E)-3-(3-bromo-4-fluorophenyl)acrylic acid, (2E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid, MFCD00143095, 370867-85-9, 3-(3-bromo-4-fluorophenyl)acrylic acid, PubChem3228, 3-(3-bromo-4-fluorophenyl)prop-2-enoic acid, AC1LELT9, (2E)-3-(3-BROMO-4-FLUOROPHENYL)ACRYLIC ACID, AC1Q71FU, SCHEMBL290718, RARECHEM BK HW 0193, TIMTEC-BB SBB003187, ZINC57073, PC1423M, ATTERCOP-CHM AT116391, ZNIGVADAKXOMQH-DUXPYHPUSA-N, ACT13046, ZX-AP007441, FCH089640, SBB003187, 4-fluoro-3-bromo-trans-cinnamic acid, AKOS000141782, AM90064, AS03311, BBV-022516, CM13576, FCH4142360, FS-4264, AJ-09566, AK-33525, BC002436, CC-14427, ST056362, AX8011482, RT-002007, TL8001218, ST24028436, V3600, B-7367, 434B491, (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoic acid, 3-(3-bromo-4-fluorophenyl)-(2E)-2-Propenoic acid, I01-3237, J-009721, 3-(3-BROMO-4-FLUOROPHENYL)-2-PROPENOIC ACID, (2E)-3-(3-BROMO-4-FLUOROPHENYL)-2-PROPENOIC ACID, InChI=1/C9H6BrFO2/c10-7-5-6(1-3-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2, C9H6BrFO2, CID688312, ACN-042070, 3-(3-bromo-4-fluoro-phenyl)prop-2-enoic Acid, 2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-, 3-Bromo-4-fluorocinnamic acid, 99% - 1G 1g, 2-Propenoic acid, 3-(3-bromo-4-fluorophenyl)-, (2E)-,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	243.954g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.047g/mol
Monoisotopic Mass	243.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338-P302+P352-P321-P405-P501
Signal Words	warning
UN Code

Certificate of Analysis

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