AG003CYS

28049-61-8 | 1-(4-chlorophenyl)cyclobutane-1-carbonitrile

AG003CYS

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CAS Number	28049-61-8
Catalog Number	AG003CYS(AGN-PC-07Y4FX)
Chemical Name	1-(4-chlorophenyl)cyclobutane-1-carbonitrile
EC Number	248-799-7
IUPAC Name	1-(4-chlorophenyl)cyclobutane-1-carbonitrile
InChI	InChI=1S/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2
InChI Key	XQONXPWVIZZJIL-UHFFFAOYSA-N
MDL Number	MFCD00065239
Molecular Formula	C11H10ClN
Molecular Weight	191.6568
NSC Number	154613
SMILES	ClC1=CC=C(C=C1)C1(CCC1)C#N
Synonyms	1-(4-Chlorophenyl)cyclobutanecarbonitrile, 28049-61-8, 1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile, 1-(4-chlorophenyl)cyclobutane-1-carbonitrile, Cyclobutanecarbonitrile, 1-(4-chlorophenyl), Cyclobutanecarbonitrile, 1-(4-chlorophenyl)-, 1-(4-Chlorophenyl)-cyclobutanecarbonitrile, 1-(4-Chlorophenyl)cyclobutane Carbonitrile, EINECS 248-799-7, NSC154613, CCBC, Sibutramine Impurity F, ACMC-20a2wi, AC1Q3NKD, AC1L40AT, SCHEMBL2218, (intermediate of Sibutramine), CYC006, Jsp005407, CTK4G0683, DTXSID30182328, XQONXPWVIZZJIL-UHFFFAOYSA-N, ZINC388379, ANW-54688, MFCD00065239, SBB063203, 1-(4-chlorophenyl)cyclobutane nitrile, AKOS005216180, CC-1911, NSC 154613, NSC-154613, 1--(4-chlorophenyl)cyclobutane nitrile, 1-(p-Chlorophenyl)cyclobutanecarbonitrile, 1-(4-chlorophenyl)cylcobutanecarbonitrile, AC-19028, AJ-20588, AK-37826, BC214898, SC-16686, U337, ZB011474, 1-(4-Chlorophenyl)cyclobutane-carbonitrile, 1-(4-chloro-phenyl)-cyclobutanecarbonitrile, DB-011799, TC-143433, A5366, Cyclobutanecarbonitrile,1-(4-chlorophenyl)-, FT-0082994, FT-0605678, FT-0638749, ST50405608, 1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile, 97%, I01-0845, W-107079, C11H10ClN, 1- -1-cyclobutanecarbonitrile, C11-H10-Cl-N, KST-1B2733, CID98621, AR-1B1937, C3161, 28971-03-1, 3-(2-Pyridyl)-5,6-bis(4-sulfophenyl)-1,2,4-triazine Disodium Salt, Disodium 4,4'-[3-(pyridin-2-yl)-1,2,4-triazine-5,6-diyl]bis(benzenesulphonate),

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.05g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.658g/mol
Monoisotopic Mass	191.05g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Signal Words	warning
UN Code	\N

Certificate of Analysis

Lot Number