AG003UKB

475102-10-4 | 1-BOC-5-cyanoindole

AG003UKB

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	475102-10-4
Catalog Number	AG003UKB(AGN-PC-0LXPHN)
Chemical Name	1-BOC-5-cyanoindole
IUPAC Name	tert-butyl 5-cyanoindole-1-carboxylate
InChI	InChI=1S/C14H14N2O2/c1-14(2,3)18-13(17)16-7-6-11-8-10(9-15)4-5-12(11)16/h4-8H,1-3H3
InChI Key	OYPSWAHXXPMBGM-UHFFFAOYSA-N
MDL Number	MFCD08056374
Molecular Formula	C14H14N2O2
Molecular Weight	242.2732
SMILES	O=C(N1C=CC2=C1C=CC(C#N)=C2)OC(C)(C)C
Synonyms	1-Boc-5-cyanoindole, 475102-10-4, tert-butyl 5-cyano-1H-indole-1-carboxylate, tert-butyl 5-cyanoindole-1-carboxylate, AK-72562, PubChem8940, AC1OHM5V, ACMC-1ALU8, SCHEMBL1876083, CTK4J0051, DTXSID70428454, OYPSWAHXXPMBGM-UHFFFAOYSA-N, 1-BOC-5-CYANO-1H-INDOLE, KS-00000M6O, ZINC4369373, ANW-30533, MFCD08056374, AKOS015837006, FCH1625725, RTR-017515, AJ-50925, CJ-12024, DS-15202, AX8057182, DB-070819, ST2407716, TR-017515, FT-0659109, V6095, B-3302, 5-cyano-1-indolecarboxylic acid tert-butyl ester, 5-Cyano-indole-1-carboxylic acid tert-butyl ester, A827251, I10-0184, 1H-Indole-1-carboxylicacid, 5-cyano-, 1,1-dimethylethyl ester, C14H14N2O2, ZINC04369373, CID7213332, tert-Butyl5-cyano-1H-indole-1-carboxylate,

Complexity	377
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.106g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.278g/mol
Monoisotopic Mass	242.106g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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

Lot Number