AG0033MK

630125-49-4 | 1-Bromo-3-nitro-5-trifluoromethylbenzene

AG0033MK

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CAS Number	630125-49-4
Catalog Number	AG0033MK(AGN-PC-0LW6N4)
Chemical Name	1-Bromo-3-nitro-5-trifluoromethylbenzene
IUPAC Name	1-bromo-3-nitro-5-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3BrF3NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H
InChI Key	YHTVYRKVFAFVLP-UHFFFAOYSA-N
MDL Number	MFCD03788719
Molecular Formula	C7H3BrF3NO2
Molecular Weight	270.0034
SMILES	O=N(=O)c1cc(cc(c1)Br)C(F)(F)F
Synonyms	3-bromo-5-nitrobenzotrifluoride, 630125-49-4, 1-bromo-3-nitro-5-(trifluoromethyl)benzene, 3-bromo-5-trifluoromethylnitrobenzene, 3-nitro-5-bromobenzotrifluoride, Benzene, 1-bromo-3-nitro-5-(trifluoromethyl)-, 1-Bromo-3-nitro-5-trifluoromethylbenzene, 5-bromo-3-(trifluoromethyl)nitrobenzene, 1-Bromo-3-nitro-5-trifluoromethyl-benzene, MFCD03788719, 3-BROMO-5-NITROTRIFLUOROTOLUENE, AK-35924, 3-bromo-1-nitro-5-(trifluoromethyl)benzene, zlchem 416, PubChem4047, ACMC-209nc5, SCHEMBL788056, CTK5I6302, DTXSID50426736, ZLC0270, YHTVYRKVFAFVLP-UHFFFAOYSA-N, ACT13097, BCP11280, ZINC2510823, ZX-AP004109, ANW-34515, BBL101513, DT1900, PC9862, SBB063395, STL555309, WT1602, AKOS005259227, AN-1581, AS01048, CS-W003108, FCH1321305, GS-6875, LF10086, MCULE-9106500115, RTR-021703, 3-Bromo-5-(trifluoromethyl)nitrobenzene, KS-0000018D, AC-19352, AJ-36515, BC002703, BR-35924, SC-05933, SY014293, AB0008348, AX8010145, ST2408715, TC-060403, 4CH-002950, AM20040906, FT-0081707, FT-0600888, ST50827763, TL80074050, X8352, 3-(TRIFLUOROMETHYL)-5-BROMONITROBENZENE, benzene, 1-bromo-3-nitro-5-(trifluoromethyl), Benzene,1-bromo-3-nitro-5-(trifluoromethyl)-, C-6060, 630125-49-4 3-Bromo-5-nitrobenzotrifluoride, MFCD03788719 (97+%), 125B494, I01-1532, C7H3BrF3NO2, 2-Bromo-5-nitrobenzotrifluoride, 2-Chloro-3-fluoroisonicotinic acid, ZINC02510823, ACN-050542, CID7015411, A8702, B5333, 3-Bromo-5-nitrobenzotrifluoride, 97% - 1G 1g, 367-67-9,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	268.93g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	270.005g/mol
Monoisotopic Mass	268.93g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number