AG00I8DA

439134-78-8 | 5-(Bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

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CAS Number	439134-78-8
Catalog Number	AG00I8DA(AGN-PC-0KL6ZR)
Chemical Name	5-(Bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
IUPAC Name	5-(bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
InChI	InChI=1S/C12H9BrF3NS/c1-7-10(6-13)18-11(17-7)8-2-4-9(5-3-8)12(14,15)16/h2-5H,6H2,1H3
InChI Key	IBJHFQRRDNHDBG-UHFFFAOYSA-N
MDL Number	MFCD04115403
Molecular Formula	C12H9BrF3NS
Molecular Weight	336.1708
SMILES	CC1=C(CBr)SC(=N1)C1=CC=C(C=C1)C(F)(F)F
Synonyms	439134-78-8, 5-(Bromomethyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole, 5-(bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole, AC1MDRJ8, C12H9BrF3NS, SCHEMBL1553917, CTK4I7867, KS-00000EZB, DTXSID50383274, IBJHFQRRDNHDBG-UHFFFAOYSA-N, ZINC161965, 6062AB, ANW-63113, MFCD04115403, AKOS016004397, QC-8157, AJ-15848, AK-89730, DS-16618, ZB007753, AB0004014, DB-038151, TX-017110, FT-0619695, I14-90636, 5-Bromomethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole, Thiazole, 5-(bromomethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-, ZINC00161965, CID2794629, 5- -4-METHYL-2-[4- PHENYL]-1,3-THIAZOLE,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	334.959g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	336.17g/mol
Monoisotopic Mass	334.959g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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

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