AG003J27

774-81-2 | 3-Bromo-4-methoxyphenylacetic acid

AG003J27

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CAS Number	774-81-2
Catalog Number	AG003J27(AGN-PC-0JMOZ5)
Chemical Name	3-Bromo-4-methoxyphenylacetic acid
IUPAC Name	2-(3-bromo-4-methoxyphenyl)acetic acid
InChI	InChI=1S/C9H9BrO3/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key	POTVGQUUEQTPNA-UHFFFAOYSA-N
MDL Number	MFCD00017538
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	O=C(O)CC1=CC=C(OC)C(Br)=C1
Synonyms	3-Bromo-4-methoxyphenylacetic acid, 774-81-2, 2-(3-bromo-4-methoxyphenyl)acetic acid, (3-bromo-4-methoxyphenyl)acetic acid, (3-bromo-4-methoxy-phenyl)-acetic acid, 3-Bromo-4-methoxy-phenyl acetic acid, Benzeneacetic acid, 3-bromo-4-methoxy-, POTVGQUUEQTPNA-UHFFFAOYSA-N, 3-BROMO-4-METHYLOXYPHENYLACETIC ACID, 3-Bromo-4-methoxyphenylaceticacid, PubChem12491, AC1Q4CFA, AC1L38WS, AC1Q44LW, KSC495A9F, SCHEMBL138449, RARECHEM AL BO 0336, CTK3J5092, KS-00000CBT, TIMTEC-BB SBB017829, DTXSID10228112, OTAVA-BB 1000021, ZINC391539, ACN-S004084, ACT12864, 3-bromo-4-meth-oxyphenylacetic acid, 3-bromo-4-methoxyphenyl acetic acid, (3-Bromo-4-methoxyphenyl)aceticAcid, ANW-74666, BBL027842, MFCD00017538, SBB017829, STL373481, AKOS002268767, AC-2813, AM82917, AS00515, CM13661, FS-2535, MCULE-6125953891, RP28677, RTR-024755, TRA0011152, 2-(3-bromo-4-methoxy-phenyl)acetic acid, AJ-21092, AN-13622, BC003660, FS000801, SC-22595, SY003029, [3-bromo-4-(methyloxy)phenyl]acetic acid, 2-(3-bromo-4-methoxy-phenyl) acetic acid, AB0030476, DB-022348, TR-024755, B4677, CS-0037013, FT-0632939, ST24039291, ST50169430, TL80090532, X2674, MFCD00017538 (98%), A22028, C-5388, I01-3149, J-511935, 2-(3-bromo-4-methoxyphenyl)acetic acid;2-(3-bromo-4-methoxy-phenyl)acetic acid, C9H9BrO3, CID136615, 2-(3-Bromo-4-methoxyphenyl)acetic acid 1g,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	243.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	245.072g/mol
Monoisotopic Mass	243.974g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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