AG00HWLD

1427415-25-5 | Methyl 4-bromo-2-fluoro-6-methoxybenzoate

AG00HWLD

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CAS Number	1427415-25-5
Catalog Number	AG00HWLD(AGN-PC-0HV0PD)
Chemical Name	Methyl 4-bromo-2-fluoro-6-methoxybenzoate
IUPAC Name	methyl 4-bromo-2-fluoro-6-methoxybenzoate
InChI	InChI=1S/C9H8BrFO3/c1-13-7-4-5(10)3-6(11)8(7)9(12)14-2/h3-4H,1-2H3
InChI Key	HYJFLZRBRFDQBT-UHFFFAOYSA-N
MDL Number	MFCD23707517
Molecular Formula	C9H8BrFO3
Molecular Weight	263.0604
SMILES	O=C(OC)C1=C(OC)C=C(Br)C=C1F
Synonyms	Methyl 4-bromo-2-fluoro-6-methoxybenzoate, 1427415-25-5, SCHEMBL12470349, DTXSID80738192, KS-00000RS8, MFCD23707517, ZINC95830478, AKOS022174465, DS-6488, FCH2332288, AK138920, AJ-134620, AX8260525, CS-0041324, 1403483-79-3,

Complexity	212
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.964g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.062g/mol
Monoisotopic Mass	261.964g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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