AG00IFFR

887581-54-6 | 6-tert-Butylindole

AG00IFFR

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CAS Number	887581-54-6
Catalog Number	AG00IFFR(AGN-PC-0WCYWK)
Chemical Name	6-tert-Butylindole
IUPAC Name	6-tert-butyl-1H-indole
InChI	InChI=1S/C12H15N/c1-12(2,3)10-5-4-9-6-7-13-11(9)8-10/h4-8,13H,1-3H3
InChI Key	VNMQJWPTYZPZDM-UHFFFAOYSA-N
MDL Number	MFCD07367958
Molecular Formula	C12H15N
Molecular Weight	173.2542
SMILES	CC(C1=CC2=C(C=C1)C=CN2)(C)C
Synonyms	6-(tert-Butyl)-1H-indole, 887581-54-6, 6-tert-Butylindole, 6-TERT-BUTYL-1H-INDOLE, SCHEMBL84519, CTK6A5377, DTXSID10620435, 1h-indole,6-(1,1-dimethylethyl)-, FCH855124, MFCD07367958, ZINC14984992, AKOS006287011, AB31501, AK342268, DS-12353, AX8327602, FT-0741849, W-3455,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.12g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	173.259g/mol
Monoisotopic Mass	173.12g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	15.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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