AG003MNI

6872-17-9 | 5-Chloro-1,3,3-trimethyl-2-methyleneindoline

AG003MNI

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CAS Number	6872-17-9
Catalog Number	AG003MNI(AGN-PC-0JLT5S)
Chemical Name	5-Chloro-1,3,3-trimethyl-2-methyleneindoline
EC Number	229-972-6
IUPAC Name	5-chloro-1,3,3-trimethyl-2-methylideneindole
InChI	InChI=1S/C12H14ClN/c1-8-12(2,3)10-7-9(13)5-6-11(10)14(8)4/h5-7H,1H2,2-4H3
InChI Key	VDMXGJJMPKAYQP-UHFFFAOYSA-N
MDL Number	MFCD00545172
Molecular Formula	C12H14ClN
Molecular Weight	207.6993
NSC Number	158263
SMILES	CN1C(=C)C(C)(C)C2=CC(Cl)=CC=C12
Synonyms	6872-17-9, 5-Chloro-1,3,3-trimethyl-2-methyleneindoline, 5-Chloro-2-methylene-1,3,3-trimethylindoline, 1H-Indole, 5-chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-, 5-chloro-1,3,3-trimethyl-2-methylideneindole, VDMXGJJMPKAYQP-UHFFFAOYSA-N, 4-Chloro-2,3,3-trimethylindolenine, 5-chloro-1,3,3-trimethyl-2-methylene-indoline, EINECS 229-972-6, NSC158263, PubChem7323, AC1Q3MRB, ACMC-209o4e, 5-Chloro-2-methylene-1.3.3-trimethylindoline, Indoline, 5-chloro-1,3,3-trimethyl-2-methylene-, AC1L311U, SCHEMBL3809912, CTK2F2830, DTXSID40218844, ZINC119647, ZX-AT022529, ANW-35532, c1177, MFCD00005814, AKOS001358631, FCH2253333, MCULE-9596813958, NSC-158263, TRA0093405, VI30222, AC-19073, AJ-11603, AK-87211, AN-18107, BBV-75856044, CC-21535, I669, ZB003995, AX8008273, DB-055182, TC-124277, FT-0606489, ST24044569, KS-00001768, 1,3,3-Trimethyl-2-methylene-5-chloroindoline, 5-chloro-2-methylene-1,3,3-trimethyl-indoline, 5-Chloro-1,3,3-trimethyl-2-methyleneindoline #, 872C179, C-08613, I14-1277, 5-Chloro-2,3-dihydro-1,3,3-trimethyl-2-methylene-1H-indole, 5-Chloro-2-methylene-1,3,3-trimethylindoline, technical grade, 95%, Barium distearate, C12H14ClN, Octadecanoic acid barium salt, C12-H14-Cl-N, CID81308, AR-1G7649, Indoline,3,3-trimethyl-2-methylene-, 1H-Indole,3-dihydro-1,3,3-trimethyl-2-methylene-, 5-Chloro-1,3,3-trimethyl-2-methyleneindoline, 96% - 25G 25g, 70460-48-9,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.081g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	207.701g/mol
Monoisotopic Mass	207.081g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	3.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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