AG00AC3R

1514-11-0 | 4-Methoxy-3-(trifluoromethyl)bromobenzene

AG00AC3R

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CAS Number	1514-11-0
Catalog Number	AG00AC3R(AGN-PC-0KKWRP)
Chemical Name	4-Methoxy-3-(trifluoromethyl)bromobenzene
IUPAC Name	4-bromo-1-methoxy-2-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6BrF3O/c1-13-7-3-2-5(9)4-6(7)8(10,11)12/h2-4H,1H3
InChI Key	XTFPWZDSCKENBJ-UHFFFAOYSA-N
MDL Number	MFCD01631579
Molecular Formula	C8H6BrF3O
Molecular Weight	255.0318
SMILES	COC1=CC=C(Br)C=C1C(F)(F)F
Synonyms	1514-11-0, 4-bromo-2-(trifluoromethyl)anisole, 4-bromo-1-methoxy-2-(trifluoromethyl)benzene, 4-Methoxy-3-(trifluoromethyl)bromobenzene, 5-bromo-2-methoxybenzotrifluoride, 4-bromo-1-methoxy-2-trifluoromethyl-benzene, 2-(Trifluoromethyl)-4-bromoanisole, 1-BROMO-4-METHOXY-3-(TRIFLUOROMETHYL)BENZENE, MFCD01631579, 3-BROMO-6-METHOXYBENZOTRIFLUORIDE, ACMC-20amfg, PubChem4441, AC1MCQ4U, AC1Q44QN, SCHEMBL2273425, CTK3J0517, DTXSID50379511, XTFPWZDSCKENBJ-UHFFFAOYSA-N, 5-bromo-2-methoxy-benzotrifluoride, 4-bromo-2-(trifluotomethyl)anisole, BCP07497, JRD-0918, KS-00003R2I, ZINC2382274, SBB101531, AKOS015851675, AM61354, MCULE-2554194781, PS-7417, RL01933, RTR-006211, 4-methoxy-3-trifluoromethyl-bromobenzene, BC002773, SY018965, DB-028729, TR-006211, FT-0617722, ST50408649, Z0208, 4-bromo-2-(trifluoromethyl)phenyl methyl ether, C-5207, 4-bromanyl-1-methoxy-2-(trifluoromethyl)benzene, 4 - Methoxy - 3 - (trifluoromethyl)bromobenzene, A809170, Benzene, 4-bromo-1-methoxy-2-(trifluoromethyl)-, J-514593, I01-10203, 1-bromo-4-methoxy-3-(trifluoromethyl)benzene~4-methoxy-3-(trifluoromethyl)bromobenzene, C8H6BrF3O, ZINC02382274, ACN-055977, CID2775304,

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-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number