AG0007W7

1026089-09-7 | Benzeneacetic acid, 4-bromo-2-methoxy-

AG0007W7

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CAS Number	1026089-09-7
Catalog Number	AG0007W7(AGN-PC-09ROGO)
Chemical Name	Benzeneacetic acid, 4-bromo-2-methoxy-
IUPAC Name	2-(4-bromo-2-methoxyphenyl)acetic acid
InChI	InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChI Key	RNRCAQYXOAHKGD-UHFFFAOYSA-N
MDL Number	MFCD11847505
Molecular Formula	C9H9BrO3
Molecular Weight	245.0700
SMILES	BrC1=CC(=C(C=C1)CC(=O)O)OC
Synonyms	2-(4-BROMO-2-METHOXYPHENYL)ACETIC ACID, 1026089-09-7, 4-BROMO-2-METHOXYPHENYLACETIC ACID, AK109532, SCHEMBL426773, KS-00000PJL, DTXSID50695208, RNRCAQYXOAHKGD-UHFFFAOYSA-N, 0638AA, CL9125, MFCD11847505, ZINC79362741, (4-Bromo-2-methoxyphenyl)acetic acid, AKOS016009219, CS-W005525, DS-4366, FCH1406553, Benzeneacetic acid, 4-bromo-2-methoxy-, (4-bromo-2-methoxy-phenyl)-acetic acid, SC-33123, AB0070246, AJ-123132, AX8223612, ST2403927, 4CH-017221, 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, X-3617, (4-Bromo-2-methoxyphenyl)acetic acid, AldrichCPR, C9H9BrO3, ACN-052088, HHT,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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