AG003EV3

111128-12-2 | 2-(4-(Bromomethyl)phenyl)propanoic acid

AG003EV3

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CAS Number	111128-12-2
Catalog Number	AG003EV3(AGN-PC-0KK6AI)
Chemical Name	2-(4-(Bromomethyl)phenyl)propanoic acid
IUPAC Name	2-[4-(bromomethyl)phenyl]propanoic acid
InChI	InChI=1S/C10H11BrO2/c1-7(10(12)13)9-4-2-8(6-11)3-5-9/h2-5,7H,6H2,1H3,(H,12,13)
InChI Key	QQXBRVQJMKBAOZ-UHFFFAOYSA-N
MDL Number	MFCD02093445
Molecular Formula	C10H11BrO2
Molecular Weight	243.0971
SMILES	BrCC1=CC=C(C=C1)C(C(=O)O)C
Synonyms	111128-12-2, 2-[4-(Bromomethyl)phenyl]propanoic acid, 2-(4-(Bromomethyl)phenyl)propanoic acid, 2-(4-Bromomethyl)phenylpropionic acid, 2-[4-(Bromomethyl)phenyl]propionic Acid, 2-(4-Bromomethyl-phenyl)-propionic acid, 4-(Bromomethyl)hydratropic Acid, 2-((4-Bromomethyl)phenyl)propanic acid, 2-[p-(Bromomethyl)phenyl]propionic acid, MFCD02093445, 2-(4'-Bromomethylphenyl)propionic acid, AC1MC03E, SCHEMBL346789, ACMC-20998h, Jsp000837, CTK4A7195, DTXSID10370064, QQXBRVQJMKBAOZ-UHFFFAOYSA-N, BCP12222, KS-00000D2U, ANW-16239, BBL103414, SBB064013, STL557224, AKOS015889848, AN-5230, AS00527, CS-W012755, GS-3022, RP28556, TRA0088623, 2-(4-Bromomethyl) Phenylproplonic Acid, 2-[4-(Bromomethyl)phenyl]propionicAcid, 2-(4-bromomethylphenyl)-proprionic acid, AC-30317, AK-94166, BC005218, BC677375, AB0011101, DB-040954, RT-002832, ST2403916, TL8000334, 4CH-017806, FT-0642719, 2-[4-(Bromomethyl)phenyl]propionic acid, 96%, M-1691, 128B122, Q-100065, C10H11BrO2, RW1847, ACN-048102, CID2733978, B2101, Benzeneacetic acid, 4-(bromomethyl)-alpha-methyl-, 2-(4-Bromomethyl)phenylpropionic acid, 97% - 25G 25g,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	241.994g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	243.1g/mol
Monoisotopic Mass	241.994g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H317-H319
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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