AG00AMNN

1857-57-4 | 3-(3-Bromo-4-methoxyphenyl)propanoic acid

AG00AMNN

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CAS Number	1857-57-4
Catalog Number	AG00AMNN(AGN-PC-0LD217)
Chemical Name	3-(3-Bromo-4-methoxyphenyl)propanoic acid
IUPAC Name	3-(3-bromo-4-methoxyphenyl)propanoic acid
InChI	InChI=1S/C10H11BrO3/c1-14-9-4-2-7(6-8(9)11)3-5-10(12)13/h2,4,6H,3,5H2,1H3,(H,12,13)
InChI Key	MLXVZRVWVCOUBQ-UHFFFAOYSA-N
MDL Number	MFCD00184737
Molecular Formula	C10H11BrO3
Molecular Weight	259.0965
SMILES	O=C(O)CCC1=CC=C(OC)C(Br)=C1
Synonyms	3-(3-bromo-4-methoxyphenyl)propanoic acid, 1857-57-4, Benzenepropanoicacid, 3-bromo-4-methoxy-, MFCD00184737, 3-(3-Bromo-4-methoxyphenyl)propionic acid, AC1NDBQY, AC1Q44LX, SCHEMBL3683765, CTK0G9382, DTXSID40404129, MLXVZRVWVCOUBQ-UHFFFAOYSA-N, ZINC4557388, STL302086, AKOS001453209, MCULE-8865828779, NE34338, NCGC00338540-01, Benzenepropanoic acid, 3-bromo-4-methoxy-, 3-(3-Bromo-4-methoxy-phenyl)-propionic acid, EN300-30579, AB01330794-02, 3-(3-BroMo-4-Methoxyphenyl)propionic acid, 96%, I14-32132, F9995-0933, CID4547608, 3-(3-bromo-4-methoxy-phenyl)propanoic Acid,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.989g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	259.099g/mol
Monoisotopic Mass	257.989g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

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

Lot Number