AG00356N

82702-31-6 | Methyl 3-bromo-4-fluorobenzoate

AG00356N

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CAS Number	82702-31-6
Catalog Number	AG00356N(AGN-PC-0LW7YB)
Chemical Name	Methyl 3-bromo-4-fluorobenzoate
EC Number	617-378-3
IUPAC Name	methyl 3-bromo-4-fluorobenzoate
InChI	InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key	JVORYGNKYAXATM-UHFFFAOYSA-N
MDL Number	MFCD04972915
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	COC(=O)C1=CC(Br)=C(F)C=C1
Synonyms	Methyl 3-bromo-4-fluorobenzoate, 82702-31-6, 3-BROMO-4-FLUORO-BENZOIC ACID METHYL ESTER, Methyl3-bromo-4-fluorobenzoate, Methyl-3-bromo-4-fluoro benzoate, Benzoic acid, 3-bromo-4-fluoro-, methyl ester, RARECHEM AL BF 0277, 3-bromo-4-fluorobenzoic acid methyl ester, PubChem18716, ACMC-209ppx, SCHEMBL107858, methyl-3-bromo-4-fluorobenzoate, CTK5E9958, KS-00000BGF, DTXSID30426936, JVORYGNKYAXATM-UHFFFAOYSA-N, methyl 3-bromo-4-fluoro-benzoate, methyl3-bromo-4-fluorobenzoate98%, ACN-S004195, ACT13042, ZINC2540362, ANW-37603, MFCD04972915, SBB098032, AKOS015834199, methyl 3-bromo-4-fluorobenzoate 98%, AB21248, AM61664, AS03630, CM-2262, CS-W005915, PS-7685, QC-8008, RP28055, TRA0052101, AJ-39068, AK-81963, AN-36141, BC004403, CJ-09207, SC-47543, SY007213, 4-fluoro-3-bromobenzoic acid methyl ester, 4-fluoro-3-bromo-benzoic acid methyl ester, AB0058349, AB1000912, DB-007665, TR-025840, 4CH-004168, FT-0080207, FT-0602711, M3018, Methyl 3-bromo-4-fluorobenzoate, AldrichCPR, ST24047807, V7890, Benzoicacid, 3-bromo-4-fluoro-, methyl ester, B-5100, MFCD04972915 (97+%), J-522668, I01-10494, null, C8H6BrFO2, RW1515, ZINC02540362, CID7018022,

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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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