AG000CBZ

116369-25-6 | Benzenamine, 4-bromo-3-(trifluoromethoxy)-

AG000CBZ

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CAS Number	116369-25-6
Catalog Number	AG000CBZ(AGN-PC-000K7L)
Chemical Name	Benzenamine, 4-bromo-3-(trifluoromethoxy)-
IUPAC Name	4-bromo-3-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H5BrF3NO/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3H,12H2
InChI Key	LFTJNGSZCSGBFU-UHFFFAOYSA-N
MDL Number	MFCD11506046
Molecular Formula	C7H5BrF3NO
Molecular Weight	256.0199
SMILES	O(C(F)(F)F)c1c(Br)ccc(c1)N
Synonyms	4-bromo-3-(trifluoromethoxy)aniline, 116369-25-6, 4-Bromo-3-trifluoromethoxy-phenylamine, Benzenamine, 4-bromo-3-(trifluoromethoxy)-, ACMC-209unm, SCHEMBL325072, CTK4A9763, DTXSID70556327, LFTJNGSZCSGBFU-UHFFFAOYSA-N, 4-bromo-3-trifluoromethoxy-aniline, KS-00003R2B, 2679AA, ANW-44000, MFCD11506046, WT1552, ZINC34234744, 4-Bromo-3-(trifluoromethoxy)-aniline, AKOS015994840, ACN-049010, EBD1991331, PS-7405, RP29119, RTC-060407, 4-bromo-3-(trifluoromethoxy)Benzenamine, 4-bromo-3-[(trifluoromethyl)oxy]aniline, AJ-87565, CJ-18252, AB0060283, DB-060875, TC-060407, CS-0084328, FT-0686978, X-1195, 5-Amino-2-bromo-alpha,alpha,alpha-trifluoroanisole, 116369-25-6 4-bromo-3-(trifluoromethoxy)aniline, 4-Bromo-3-trifluoromethoxy-phenylamine, AldrichCPR, J-514757, C7H5BrF3NO,

Complexity	176
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.951g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	256.022g/mol
Monoisotopic Mass	254.951g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H317
Packing Group	Ⅲ
Precautionary statements	P280-P301+P310
UN Code	UN 2811

Certificate of Analysis

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