AG00146N

1330750-28-1 | Benzene, 1-bromo-3-methoxy-5-(trifluoromethoxy)-

AG00146N

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CAS Number	1330750-28-1
Catalog Number	AG00146N(AGN-PC-0WNO4X)
Chemical Name	Benzene, 1-bromo-3-methoxy-5-(trifluoromethoxy)-
IUPAC Name	1-bromo-3-methoxy-5-(trifluoromethoxy)benzene
InChI	InChI=1S/C8H6BrF3O2/c1-13-6-2-5(9)3-7(4-6)14-8(10,11)12/h2-4H,1H3
InChI Key	XVZXJTCWTLEHQT-UHFFFAOYSA-N
MDL Number	MFCD19981548
Molecular Formula	C8H6BrF3O2
Molecular Weight	271.0312
SMILES	FC(F)(F)OC1=CC(OC)=CC(Br)=C1
Synonyms	3-Bromo-5-(trifluoromethoxy)anisole, 1330750-28-1, 1-bromo-3-methoxy-5-(trifluoromethoxy)benzene, Benzene, 1-bromo-3-methoxy-5-(trifluoromethoxy)-, ACMC-209bqv, SCHEMBL15718616, CTK8B0163, DTXSID20716671, XVZXJTCWTLEHQT-UHFFFAOYSA-N, ANW-19493, MFCD19981548, ZINC74937850, AKOS015908195, FCH1362364, TC-108238, Z9675, B-7129, I14-24814, C8H6BrF3O2, 3-Bromo-5-(trifluoromethoxy)benzyl alcohol,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.95g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	271.033g/mol
Monoisotopic Mass	269.95g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	18.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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