AG00C0F1

401-84-3 | 3,5-Dibromobenzotrifluoride

AG00C0F1

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CAS Number	401-84-3
Catalog Number	AG00C0F1(AGN-PC-0KBPGN)
Chemical Name	3,5-Dibromobenzotrifluoride
IUPAC Name	1,3-dibromo-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3Br2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChI Key	OFNXSUANJLHGQN-UHFFFAOYSA-N
MDL Number	MFCD00526219
Molecular Formula	C7H3Br2F3
Molecular Weight	303.9019
SMILES	c1c(cc(cc1Br)Br)C(F)(F)F
Synonyms	1,3-dibromo-5-(trifluoromethyl)benzene, 401-84-3, 3,5-Dibromobenzotrifluoride, MFCD00526219, Benzene, 1,3-dibromo-5-(trifluoromethyl)-, PubChem11234, ACMC-209jbn, AC1M14GU, KSC911M2P, SCHEMBL1082212, CTK8B1627, DTXSID00366279, OFNXSUANJLHGQN-UHFFFAOYSA-N, HMS1787J22, 1,3-DIBROMOBENZOTRIFLUORIDE, JRD-1666, KS-00000NE6, ZINC2566570, 3,5-Dibromo-A,A,A-trifluorotoluene, ANW-29313, AKOS001026740, CS-W016753, PS-7116, RTR-016044, 3,5-Dibromo-1-(trifluoromethyl)benzene, 1,3-Dibromo-5-(trifluoromethyl);benzene, AJ-41300, AK-86222, BC003586, CJ-09761, SC-20612, Benzene,1,3-dibromo-5-(trifluoromethyl)-, AB0024733, ST2402977, TR-016044, D4807, FT-0687067, W6059, 1,3-bis(bromanyl)-5-(trifluoromethyl)benzene, B-3282, A824964, I01-11034, C7H3Br2F3, CID2063489,

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.853g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	303.904g/mol
Monoisotopic Mass	301.855g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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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