AG003E45

212307-87-4 | 1-Bromo-3-ethoxy-5-fluorobenzene

AG003E45

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CAS Number	212307-87-4
Catalog Number	AG003E45(AGN-PC-07AFW9)
Chemical Name	1-Bromo-3-ethoxy-5-fluorobenzene
IUPAC Name	1-bromo-3-ethoxy-5-fluorobenzene
InChI	InChI=1S/C8H8BrFO/c1-2-11-8-4-6(9)3-7(10)5-8/h3-5H,2H2,1H3
InChI Key	SQLIBVAWDBGNHE-UHFFFAOYSA-N
MDL Number	MFCD18825150
Molecular Formula	C8H8BrFO
Molecular Weight	219.0509
SMILES	CCOC1=CC(F)=CC(Br)=C1
Synonyms	1-Bromo-3-ethoxy-5-fluorobenzene, 212307-87-4, 5-Bromo-3-fluorophenetole, Benzene, 1-bromo-3-ethoxy-5-fluoro-, 3-Fluoro-5-bromophenetole, SCHEMBL16184443, CTK4E6151, KS-00000DAO, DTXSID10667289, ACT13011, 0825AB, ANW-65227, ZINC39100551, AKOS016005189, AM61382, DS-3991, RL02616, TRA0082912, AJ-98370, AK102974, BC005129, SY023568, AB0056416, DB-019073, TC-153972, FT-0733205, Z-2785, MFCD18825150 (97+%), J-504420, C8H8BrFO, Benzene,1-bromo-3-ethoxy-5-fluoro-, Benzene, 1-bromo-3-ethoxy-5-fluoro- (9CI), 3430-10-2,

Complexity	121
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.974g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.053g/mol
Monoisotopic Mass	217.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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