AG00EBFW

640280-28-0 | 4-Bromo-3-iodobenzotrifluoride

AG00EBFW

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CAS Number	640280-28-0
Catalog Number	AG00EBFW(AGN-PC-07XRN0)
Chemical Name	4-Bromo-3-iodobenzotrifluoride
IUPAC Name	1-bromo-2-iodo-4-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3BrF3I/c8-5-2-1-4(3-6(5)12)7(9,10)11/h1-3H
InChI Key	NBSGEAPKXCFNTH-UHFFFAOYSA-N
MDL Number	MFCD09800691
Molecular Formula	C7H3BrF3I
Molecular Weight	350.9024
SMILES	BrC1=C(C=C(C=C1)C(F)(F)F)I
Synonyms	1-Bromo-2-iodo-4-(trifluoromethyl)benzene, 640280-28-0, 4-Bromo-3-iodobenzotrifluoride, Benzene, 1-bromo-2-iodo-4-(trifluoromethyl)-, 4-Bromo-3-iodo-alpha,alpha,alpha-trifluorotoluene, ACMC-209njs, SCHEMBL3747226, 4-bromo-3-iodo-benzotrifluoride, CTK5C0492, DTXSID60673779, NBSGEAPKXCFNTH-UHFFFAOYSA-N, KS-00000OJ3, ANW-34790, MFCD09800691, ZINC63360972, AKOS015888481, CS-W013907, GS-4180, 2-Bromo-5-(trifluoromethyl)-iodobenzene, AK-75837, BC004784, BR-75837, CJ-20945, SC-92955, SY030138, AB0026003, AJ-114377, TC-065460, TX-012017, 4CH-010227, FT-0687066, ST24027048, W7582, MFCD09800691 (95%), S-2157, W-203379, I01-10773, C7H3BrF3I, 4-BENZYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl, 206274-42-2,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	349.841g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	350.905g/mol
Monoisotopic Mass	349.841g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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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