AG008Z2K

1123171-93-6 | Methyl 3-bromo-5-fluoro-4-nitrobenzoate

AG008Z2K

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CAS Number	1123171-93-6
Catalog Number	AG008Z2K(AGN-PC-0WBSJE)
Chemical Name	Methyl 3-bromo-5-fluoro-4-nitrobenzoate
IUPAC Name	methyl 3-bromo-5-fluoro-4-nitrobenzoate
InChI	InChI=1S/C8H5BrFNO4/c1-15-8(12)4-2-5(9)7(11(13)14)6(10)3-4/h2-3H,1H3
InChI Key	VTKKLEVLDPUKPD-UHFFFAOYSA-N
MDL Number	MFCD14635859
Molecular Formula	C8H5BrFNO4
Molecular Weight	278.0320
SMILES	O=C(OC)C1=CC(F)=C([N+]([O-])=O)C(Br)=C1
Synonyms	Methyl 3-bromo-5-fluoro-4-nitrobenzoate, 1123171-93-6, AK139034, Methyl 3-bromo-5-fluoro-4-nitro-benzoate, SCHEMBL3646690, DTXSID40738916, VTKKLEVLDPUKPD-UHFFFAOYSA-N, MFCD14635859, ZINC95830519, AKOS022174272, DS-6504, SY118964, AJ-134660, AX8260639, MFCD14635859 (95%), 3-bromo-5-fluoro-4-nitro-benzoic acid methyl ester,

Complexity	270
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	276.939g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.033g/mol
Monoisotopic Mass	276.939g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	72.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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