AG007LMO

28049-62-9 | 1-(2-Bromophenyl)-cyclobutanecarbonitrile

AG007LMO

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CAS Number	28049-62-9
Catalog Number	AG007LMO(AGN-PC-0WA3HT)
Chemical Name	1-(2-Bromophenyl)-cyclobutanecarbonitrile
IUPAC Name	1-(2-bromophenyl)cyclobutane-1-carbonitrile
InChI	InChI=1S/C11H10BrN/c12-10-5-2-1-4-9(10)11(8-13)6-3-7-11/h1-2,4-5H,3,6-7H2
InChI Key	WQNBUMDTSAQSMG-UHFFFAOYSA-N
MDL Number	MFCD11036692
Molecular Formula	C11H10BrN
Molecular Weight	236.1078
SMILES	N#CC1(C2=CC=CC=C2Br)CCC1
Synonyms	1-(2-bromophenyl)cyclobutanecarbonitrile, 28049-62-9, 1-(2-Bromophenyl)-cyclobutanecarbonitrile, 1-(2-bromophenyl)cyclobutane-1-carbonitrile, SCHEMBL8106440, CTK8D3933, DTXSID00632643, WQNBUMDTSAQSMG-UHFFFAOYSA-N, MFCD11036692, ZINC55336230, AKOS012126347, FCH4625336, AS-38955, BBV-34730165, SY225676, AJ-112728, AX8162869, DB-067869, TC-071977, FT-0717086, Y6155, MFCD11036692 (95%), A25564, X-1705, I14-13110, 3',4'-Ethylenedioxyacetophenone;1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethan-1-one;1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone;1-(2,3-Dihydrobenzo[b][1,4]dioxin-7-yl)ethanone, C11H10BrN, 6-Acetyl-1,4-benzodioxane,

Complexity	236
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.112g/mol
Monoisotopic Mass	235g/mol
Rotatable Bond Count	1
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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