AG001FCI

147992-27-6 | Benzene, 4-bromo-1-(difluoromethoxy)-2-fluoro-

AG001FCI

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CAS Number	147992-27-6
Catalog Number	AG001FCI(AGN-PC-0NKNM2)
Chemical Name	Benzene, 4-bromo-1-(difluoromethoxy)-2-fluoro-
IUPAC Name	4-bromo-1-(difluoromethoxy)-2-fluorobenzene
InChI	InChI=1S/C7H4BrF3O/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,7H
InChI Key	DOMDQZCKLBEOTD-UHFFFAOYSA-N
MDL Number	MFCD11036067
Molecular Formula	C7H4BrF3O
Molecular Weight	241.0053
SMILES	c1(c(ccc(c1)Br)OC(F)F)F
Synonyms	4-Bromo-1-(difluoromethoxy)-2-fluorobenzene, 147992-27-6, 4-Bromo-1-difluoromethoxy-2-fluoro-benzene, 1-Bromo-3-fluoro-4-(difluoromethoxy)benzene, Benzene, 4-bromo-1-(difluoromethoxy)-2-fluoro-, 4-Bromo-2-fluoro-1-(difluoromethoxy)benzene, ACMC-209czm, SCHEMBL246292, CTK4C5652, DTXSID20576792, DOMDQZCKLBEOTD-UHFFFAOYSA-N, ANW-21104, MFCD11036067, ZINC34627572, AKOS015835494, 4-Bromo-alpha,alpha,2-trifluoroanisole, AS00282, RTR-005926, KS-00000Q14, 4-(Difluoromethoxy)-3-fluorobromobenzene, AJ-89875, AK-93641, PS-11659, SC-32446, SY035786, AB0067672, DB-063745, CS-0077243, FT-0735662, ST24023313, V3398, MFCD11036067 (95%), B-7293, Benzene,4-bromo-1-(difluoromethoxy)-2-fluoro-, J-008430, Z55672072, C7H4BrF3O,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.94g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.007g/mol
Monoisotopic Mass	239.94g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

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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