AG0002RM

1007455-21-1 | Benzoic acid, 2-bromo-4-fluoro-5-methoxy-

AG0002RM

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CAS Number	1007455-21-1
Catalog Number	AG0002RM(AGN-PC-09T8EK)
Chemical Name	Benzoic acid, 2-bromo-4-fluoro-5-methoxy-
IUPAC Name	2-bromo-4-fluoro-5-methoxybenzoic acid
InChI	InChI=1S/C8H6BrFO3/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key	HECJSMILDFGZPA-UHFFFAOYSA-N
MDL Number	MFCD13193242
Molecular Formula	C8H6BrFO3
Molecular Weight	249.0338
SMILES	O=C(O)C1=CC(OC)=C(F)C=C1Br
Synonyms	2-BROMO-4-FLUORO-5-METHOXYBENZOIC ACID, 1007455-21-1, 2-BroMo-4-fluoro-5-Methoxybenzoicacid, SCHEMBL570692, CTK6J5246, DTXSID60700771, HECJSMILDFGZPA-UHFFFAOYSA-N, MFCD13193242, ZINC91252031, AKOS022190228, 2-Bromo-4-fluoro-5-metoxybenzoic acid, CM12505, FCH1381878, KS-0000246L, AJ-129218, AX8287856, Benzoic acid, 2-bromo-4-fluoro-5-methoxy-, Z1784, C8H6BrFO3, CS-4186,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.948g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.035g/mol
Monoisotopic Mass	247.948g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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