AG005X72

755030-18-3 | 5-Bromo-2-nitro-4-(trifluoromethoxy)aniline

AG005X72

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CAS Number	755030-18-3
Catalog Number	AG005X72(AGN-PC-07TCVK)
Chemical Name	5-Bromo-2-nitro-4-(trifluoromethoxy)aniline
IUPAC Name	5-bromo-2-nitro-4-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H4BrF3N2O3/c8-3-1-4(12)5(13(14)15)2-6(3)16-7(9,10)11/h1-2H,12H2
InChI Key	SXPYDXMWPDFJSH-UHFFFAOYSA-N
MDL Number	MFCD12756436
Molecular Formula	C7H4BrF3N2O3
Molecular Weight	301.0175
SMILES	NC1=CC(Br)=C(OC(F)(F)F)C=C1[N+]([O-])=O
Synonyms	5-Bromo-2-nitro-4-(trifluoromethoxy)aniline, 755030-18-3, ACMC-209oyo, SCHEMBL4855795, CTK5E1644, DTXSID50672897, ZX-AP003529, ANW-36622, MFCD12756436, PC6083, ZINC38537665, AKOS015834013, RTR-037680, AJ-96196, CJ-19492, PS-10445, AX8251494, 5-Bromo-2-nitro-4-(trifluoromethoxy)anilin, CS-0083377, V7619, B-5707, 2-Amino-4-bromo-5-(trifluoromethoxy)nitrobenzene, 5-Bromo-2-nitro-4-(trifluoromethoxy)aniline 98%, Benzenamine, 5-bromo-2-nitro-4-(trifluoromethoxy)-, I14-24770, 4-Amino-2-bromo-5-nitro-alpha,alpha,alpha-trifluoroanisole, C7H4BrF3N2O3,

Complexity	271
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	299.936g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.019g/mol
Monoisotopic Mass	299.936g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number