AG004Y8B

820236-81-5 | Methyl 2-bromo-6-fluorobenzoate

AG004Y8B

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CAS Number	820236-81-5
Catalog Number	AG004Y8B(AGN-PC-0NI1DT)
Chemical Name	Methyl 2-bromo-6-fluorobenzoate
IUPAC Name	methyl 2-bromo-6-fluorobenzoate
InChI	InChI=1S/C8H6BrFO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3
InChI Key	TZQFXIYFLBBLQJ-UHFFFAOYSA-N
MDL Number	MFCD10000922
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	COC(=O)C1=C(Br)C=CC=C1F
Synonyms	METHYL 2-BROMO-6-FLUOROBENZOATE, 820236-81-5, 2-Bromo-6-fluorobenzoic acid methyl ester, Benzoic acid, 2-bromo-6-fluoro-, methyl ester, ACMC-209pmu, SCHEMBL9987797, CTK3E2997, KS-00000QRD, TZQFXIYFLBBLQJ-UHFFFAOYSA-, DTXSID30479861, TZQFXIYFLBBLQJ-UHFFFAOYSA-N, ACT14335, ANW-37492, MFCD10000922, ZINC47202231, AKOS015834881, CM12490, AK-98628, CJ-20548, DS-18654, SY038477, AJ-110603, TR-037909, CS-0045059, FT-0706844, ST24047694, TL80090283, Z0862, MFCD10000922 (95%), B-4588, I01-10709, Z1352118439, InChI=1/C8H6BrFO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,1H3, C8H6BrFO2, METHYL2-BROMO-6-FLUOROBENZOATE, ACN-046671,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.036g/mol
Monoisotopic Mass	231.954g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number