AG00I32U

194804-92-7 | Benzoic acid, 4-bromo-2-fluoro-3-methoxy-

AG00I32U

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CAS Number	194804-92-7
Catalog Number	AG00I32U(AGN-PC-00TORG)
Chemical Name	Benzoic acid, 4-bromo-2-fluoro-3-methoxy-
IUPAC Name	4-bromo-2-fluoro-3-methoxybenzoic acid
InChI	InChI=1S/C8H6BrFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	FJOKKTOXWITJGO-UHFFFAOYSA-N
MDL Number	MFCD06656802
Molecular Formula	C8H6BrFO3
Molecular Weight	249.0338
SMILES	O=C(O)C1=CC=C(Br)C(OC)=C1F
Synonyms	4-Bromo-2-fluoro-3-methoxybenzoic acid, 194804-92-7, 4-BROMO-2-FLUORO-3-METHOXY-BENZOIC ACID, Benzoic acid, 4-bromo-2-fluoro-3-methoxy-, 4-Bromo-2-fluoro-3-methoxy-benzoicacid, PubChem11647, SCHEMBL592060, CTK4E1624, DTXSID00582871, FJOKKTOXWITJGO-UHFFFAOYSA-N, AB1248, MFCD06656802, RW3692, SBB100509, ZINC16158640, AKOS015909496, CB-3824, QC-1956, AJ-68555, BC003598, SC-58530, Benzoic acid,4-bromo-2-fluoro-3-methoxy-, AB0048070, DB-006694, RT-009491, A4281, BB 0260770, FT-0081166, FT-0651051, V4082, A-7537, 4-bromo-2-fluoro-3-methoxy-benzoic acid, AldrichCPR, I14-33419, C8H6BrFO3,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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