AG003I33

118449-57-3 | 3-(4-Bromophenoxy)propanenitrile

AG003I33

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CAS Number	118449-57-3
Catalog Number	AG003I33(AGN-PC-0LW94T)
Chemical Name	3-(4-Bromophenoxy)propanenitrile
IUPAC Name	3-(4-bromophenoxy)propanenitrile
InChI	InChI=1S/C9H8BrNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key	JXVPKJBXTXXLPN-UHFFFAOYSA-N
MDL Number	MFCD00634314
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	N#CCCOC1=CC=C(Br)C=C1
Synonyms	3-(4-bromophenoxy)propanenitrile, 118449-57-3, Propanenitrile, 3-(4-bromophenoxy)-, AK173292, EN300-59401, AC1ODTP4, AC1Q250P, SCHEMBL3237551, CTK7D0343, KS-00000EJX, DTXSID60427274, ZINC2566838, ZX-AT002239, 5650AJ, MFCD00634314, OR0277, SBB096909, AKOS000192365, BBV-086703, FCH4617384, MCULE-6480828215, PS-3130, TRA0030187, SY031988, FT-0717338, MFCD00634314 (97%), K-1286, C9H8BrNO, ZINC02566838, CID7020697,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	226.073g/mol
Monoisotopic Mass	224.979g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2811

Certificate of Analysis

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