AG006W96

143262-17-3 | tert-Butyl 7-bromoindoline-1-carboxylate

AG006W96

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CAS Number	143262-17-3
Catalog Number	AG006W96(AGN-PC-0036AA)
Chemical Name	tert-Butyl 7-bromoindoline-1-carboxylate
IUPAC Name	tert-butyl 7-bromo-2,3-dihydroindole-1-carboxylate
InChI	InChI=1S/C13H16BrNO2/c1-13(2,3)17-12(16)15-8-7-9-5-4-6-10(14)11(9)15/h4-6H,7-8H2,1-3H3
InChI Key	LHLSVTIQYUAATK-UHFFFAOYSA-N
MDL Number	MFCD08059282
Molecular Formula	C13H16BrNO2
Molecular Weight	298.1756
SMILES	O=C(N1CCC2=C1C(Br)=CC=C2)OC(C)(C)C
Synonyms	143262-17-3, tert-butyl 7-bromoindoline-1-carboxylate, Boc-7-bromoindoline, 7-bromo-N-Boc-indoline, N-Boc-7-bromoindoline, 7-Bromo-2,3-dihydro-indole-1-carboxylic acid tert-butyl ester, 1-BOC-7-BROMOINDOLINE, 1H-Indole-1-carboxylicacid, 7-bromo-2,3-dihydro-, 1,1-dimethylethyl ester, PubChem7942, 1-N-Boc-7-bromoindoline, ACMC-209wi2, SCHEMBL16123405, CTK4C3547, KS-00000JXB, DTXSID20566395, ACT06808, BCP23736, ANW-46392, MFCD08059282, ZINC21982625, AKOS015898364, CB-1201, LS20159, MB05146, QC-4356, RP06801, AJ-79118, AK-86256, AN-31559, BC003300, DS-18151, FS001004, AB0021189, DB-063469, RT-021137, ST2419976, 4CH-000019, AM20020486, FT-0657905, V2432, S-7990, 262B173, tert-butyl 7-bromo-2,3-dihydroindole-1-carboxylate, W-205589, tert-butyl 7-bromo-2,3-dihydro-1H-indole-1-carboxylate, C13H16BrNO2, tert-Butyl7-bromoindoline-1-carboxylate, A3092,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.036g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	298.18g/mol
Monoisotopic Mass	297.036g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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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