AG003I24

42287-90-1 | 3-(3-Bromophenyl)propanoic acid

AG003I24

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CAS Number	42287-90-1
Catalog Number	AG003I24(AGN-PC-00H2UL)
Chemical Name	3-(3-Bromophenyl)propanoic acid
IUPAC Name	3-(3-bromophenyl)propanoic acid
InChI	InChI=1S/C9H9BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key	DWKWMFSWLCIMKI-UHFFFAOYSA-N
MDL Number	MFCD01310792
Molecular Formula	C9H9BrO2
Molecular Weight	229.0706
SMILES	O=C(O)CCC1=CC=CC(Br)=C1
Synonyms	3-(3-bromophenyl)propanoic Acid, 3-(3-Bromophenyl)propionic acid, 42287-90-1, 3-(3-Bromo-phenyl)-propionic acid, MFCD01310792, ACMC-209jor, m-bromohydrocinnamic acid, 3-Bromohydrocinnamic acid, SCHEMBL6586, Benzenepropanoic acid,3-bromo-, AC1M158L, AC1Q758T, AMBZ0172, 3-(3-Bromophenyl)propionicAcid, 3-(m-bromophenyl)propionic acid, CTK4I5985, DWKWMFSWLCIMKI-UHFFFAOYSA-, DTXSID70366367, BUTTPARK 51\07-25, DWKWMFSWLCIMKI-UHFFFAOYSA-N, 3-(3-bromophenyl) propanoic acid, 3-(3-bromophenyl)-propionic acid, 3-BROMOPHENYLPROPANOIC ACID, ACN-S004297, BCP15306, CS-D0633, KS-00000CO3, ZINC2574308, ANW-29785, SBB063235, AKOS002528296, AB08444, CB-2539, MCULE-4003740082, QC-1356, RP27796, RP27805, TRA0000761, VZ25972, 3-(3-Bromophenyl)propionic acid, 96%, NCGC00334062-01, AJ-42232, AK-35123, AN-16459, BC005190, BR-35123, DS-12435, SC-13720, SY013761, AB0000837, DB-021621, ST2417355, TC-066437, 4CH-015248, AM20040447, FT-0084144, FT-0613610, ST50408833, X0194, EN300-06752, MFCD01310792 (96%), A25102, C-5874, AB01326591-02, AE-562/43460517, I01-0947, J-510595, InChI=1/C9H9BrO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5H2,(H,11,12), 2-hydrazinylpyridine, C9H9BrO2, 3-Bromobenzenepropanoic acid, Benzenepropanoic acid, 3-bromo-, ACN-031391, CID2063862, C2032, 3-(3-Bromophenyl)propionic acid, 97% - 1G 1g, 1092372-90-1,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	229.073g/mol
Monoisotopic Mass	227.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number