AG003GNF

35764-15-9 | 2-BROMO-4-(TRIFLUOROMETHYL)BENZONITRILE

AG003GNF

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CAS Number	35764-15-9
Catalog Number	AG003GNF(AGN-PC-0KNVTQ)
Chemical Name	2-BROMO-4-(TRIFLUOROMETHYL)BENZONITRILE
EC Number	252-715-4
IUPAC Name	2-bromo-4-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3BrF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3H
InChI Key	YQDJZASWOJHHGY-UHFFFAOYSA-N
MDL Number	MFCD06659467
Molecular Formula	C8H3BrF3N
Molecular Weight	250.0153
SMILES	C1=C(C(=CC=C1C(F)(F)F)C#N)Br
Synonyms	2-Bromo-4-(trifluoromethyl)benzonitrile, 35764-15-9, 3-Bromo-4-cyanobenzotrifluoride, AK-34830, Benzonitrile, 2-bromo-4-(trifluoromethyl)-, EINECS 252-715-4, PubChem1577, AC1MI1UJ, ACMC-209ij2, KSC911K3H, SCHEMBL669827, Jsp006421, CTK8B1533, KS-00000EJP, DTXSID60189300, YQDJZASWOJHHGY-UHFFFAOYSA-N, ACT00235, ZX-AP009628, ANW-28284, MFCD06659467, ZINC22001390, AKOS015834894, AC-1529, AM61485, AS01632, CB-1967, CM12989, CS-W003319, FCH1380072, GS-4442, PC11108, RP28883, TRA0040811, VZ23953, 2-Bromo-4-trifluoromethoxy-benzonitrile, AJ-80137, AN-14829, BC002180, BC220212, BR-34830, CC-09446, CJ-17192, SC-03802, SY030703, Benzonitrile,2-bromo-4-(trifluoromethyl)-, AB0024452, AX8010779, DB-005195, TR-014760, 4CH-006776, A6237, FT-0601396, ST24027823, W5728, MFCD06659467 (95%), EN300-129387, S-2508, C-15375, I01-0314, J-508249, 2-BROMO-4-(TRIFLUOROMETHYL)BENZENECARBONITRILE, C8H3BrF3N, C8-H3-Br-F3-N, 2-Bromo-4-(Trifluoromethoxy)benzonitrile, CID3015802,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	248.94g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.018g/mol
Monoisotopic Mass	248.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302
Precuationary statements	P280-P305+P351+P338
Siginal words

Certificate of Analysis

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