AG0033XL

944805-63-4 | 4-Bromo-2-methoxybenzotrifluoride

AG0033XL

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CAS Number	944805-63-4
Catalog Number	AG0033XL(AGN-PC-0WAA2S)
Chemical Name	4-Bromo-2-methoxybenzotrifluoride
IUPAC Name	4-bromo-2-methoxy-1-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6BrF3O/c1-13-7-4-5(9)2-3-6(7)8(10,11)12/h2-4H,1H3
InChI Key	SNOPVNVACJOOAY-UHFFFAOYSA-N
MDL Number	MFCD13194486
Molecular Formula	C8H6BrF3O
Molecular Weight	255.0318
SMILES	FC(F)(F)C1=CC=C(Br)C=C1OC
Synonyms	944805-63-4, 4-Bromo-2-methoxy-1-(trifluoromethyl)benzene, 4-Bromo-2-methoxybenzotrifluoride, 2-TRIFLUOROMETHYL-5-BROMOANISOLE, SCHEMBL4293037, CTK8C4154, KS-00000DAN, 2-methoxy-4-bromobenzotrifluoride, DTXSID30739492, SNOPVNVACJOOAY-UHFFFAOYSA-N, 6159AC, ANW-71140, MFCD13194486, ZINC85224759, AKOS016008003, AM61680, DS-4264, AK104632, SY023303, 4-Bromo-2-methoxy-1-trifluoromethylbenzene, AJ-127596, TC-159885, CS-0028740, FT-0708551, ST24043395, Z-3417, MFCD13194486 (97+%), Benzene, 4-bromo-2-methoxy-1-(trifluoromethyl)-, C8H6BrF3O,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.955g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.034g/mol
Monoisotopic Mass	253.955g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	9.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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

Lot Number