AG007414

402-07-3 | 4-Bromo-3-methoxybenzotrifluoride

AG007414

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CAS Number	402-07-3
Catalog Number	AG007414(AGN-PC-0LKPO1)
Chemical Name	4-Bromo-3-methoxybenzotrifluoride
IUPAC Name	1-bromo-2-methoxy-4-(trifluoromethyl)benzene
InChI	InChI=1S/C8H6BrF3O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3
InChI Key	FQLLPTWRKUGXEN-UHFFFAOYSA-N
MDL Number	MFCD04115974
Molecular Formula	C8H6BrF3O
Molecular Weight	255.0318
SMILES	FC(F)(F)C1=CC=C(Br)C(OC)=C1
Synonyms	402-07-3, 1-bromo-2-methoxy-4-(trifluoromethyl)benzene, 4-Bromo-3-methoxybenzotrifluoride, Benzene, 1-bromo-2-methoxy-4-(trifluoromethyl)-, MFCD04115974, AC1NLVNY, ACMC-209jbv, KSC911M2R, SCHEMBL4350401, CTK8B1628, DTXSID50407308, FQLLPTWRKUGXEN-UHFFFAOYSA-N, ACT13066, KS-00000OD4, ZINC2528357, ANW-29321, SBB101521, AKOS015888482, AB20644, AM61518, CS-W012584, DS-1390, RP29082, AJ-38262, AK-67754, BR-67754, SC-37750, SY030044, 2-BROMO-5-(TRIFLUOROMETHYL)ANISOLE, AB0024737, DB-069969, ST2411201, TC-065461, 1-bromo-2-methoxy-4-trifluoromethyl-benzene, 4CH-010068, FT-0702930, W6064, MFCD04115974 (95%), S-3453, J-514735, I01-10774, C8H6BrF3O, CID4991145, 4-ETHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl, 159874-38-1,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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