AG00GUTZ

928783-85-1 | 3-Bromo-5-Chlorobenzotrifluoride

AG00GUTZ

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CAS Number	928783-85-1
Catalog Number	AG00GUTZ(AGN-PC-02P68P)
Chemical Name	3-Bromo-5-Chlorobenzotrifluoride
IUPAC Name	1-bromo-3-chloro-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3BrClF3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChI Key	QRPRXRQFNNXPBA-UHFFFAOYSA-N
MDL Number	MFCD09260894
Molecular Formula	C7H3BrClF3
Molecular Weight	259.4509
SMILES	FC(F)(F)C1=CC(Cl)=CC(Br)=C1
Synonyms	3-Bromo-5-chlorobenzotrifluoride, 928783-85-1, 1-bromo-3-chloro-5-(trifluoromethyl)benzene, Benzene, 1-bromo-3-chloro-5-(trifluoromethyl)-, MFCD09260894, 5-bromo-3-chlorobenzotrifluoride, ACMC-209ri6, KSC912O0J, SCHEMBL1410430, CTK8B2704, DTXSID90604399, QRPRXRQFNNXPBA-UHFFFAOYSA-N, BCP22732, ANW-39916, ZINC59563605, AKOS015919700, AB50014, AM61681, AN-1594, AS00133, BCP9000126, CB-2734, CS-W003600, LS11371, QC-7608, VF10062, KS-000011M3, AK-53832, AS-18612, BC005107, BR-53832, SC-53455, SY031548, AB0027702, AJ-113512, RT-003241, ST2408708, FT-0684553, W9567, MFCD09260894 (98%), 3-BROMO-5-CHLORO-TRIFLUOROMETHYLBENZENE, S-3086, 3-BROMO-5-CHLORO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE, C7H3BrClF3, ACN-050548, 928053-97-8,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	257.906g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	259.45g/mol
Monoisotopic Mass	257.906g/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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