AG00GUGO

914637-07-3 | 2-Bromo-3-(trifluoromethyl)benzonitrile

AG00GUGO

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CAS Number	914637-07-3
Catalog Number	AG00GUGO(AGN-PC-0WAMOQ)
Chemical Name	2-Bromo-3-(trifluoromethyl)benzonitrile
IUPAC Name	2-bromo-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3BrF3N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChI Key	XPCKPTRLDWJPRV-UHFFFAOYSA-N
MDL Number	MFCD08532491
Molecular Formula	C8H3BrF3N
Molecular Weight	250.0153
SMILES	N#CC1=CC=CC(C(F)(F)F)=C1Br
Synonyms	2-Bromo-3-(trifluoromethyl)benzonitrile, 914637-07-3, 2-Bromo-3-cyanobenzotrifluoride, AK-53806, CTK8E3802, KS-00000IEE, DTXSID80648641, ZX-AP002739, 5355AC, MFCD08532491, PC5271, SBB100674, ZINC16159334, AKOS016011177, AM62319, CS-W021595, FCH1389270, PS-7483, QC-7457, AJ-68654, AX8168170, RT-007440, ST2409628, 4CH-016689, Benzonitrile, 2-bromo-3-(trifluoromethyl)-, FT-0720395, TL80074064, 2-bromo-3-(trifluoromethyl)benzenecarbonitrile, 2-Bromo-3-(trifluoromethyl)benzonitrile 99%, C8H3BrF3N, ACN-056225,

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

Certificate of Analysis

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