AG00D9S2

54136-24-2 | 2,3,3-TRIMETHYL-5-BROMO-3H-INDOLE

AG00D9S2

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CAS Number	54136-24-2
Catalog Number	AG00D9S2(AGN-PC-004UNS)
Chemical Name	2,3,3-TRIMETHYL-5-BROMO-3H-INDOLE
IUPAC Name	5-bromo-2,3,3-trimethylindole
InChI	InChI=1S/C11H12BrN/c1-7-11(2,3)9-6-8(12)4-5-10(9)13-7/h4-6H,1-3H3
InChI Key	OUWLZEOAVCFTAQ-UHFFFAOYSA-N
MDL Number	MFCD07779490
Molecular Formula	C11H12BrN
Molecular Weight	238.1237
SMILES	Brc1ccc2c(c1)C(C)(C)C(=N2)C
Synonyms	2,3,3-TRIMETHYL-5-BROMO-3H-INDOLE, 5-BROMO-2,3,3-TRIMETHYL-3H-INDOLE, 54136-24-2, T-6625, SCHEMBL317019, CTK4J9730, DTXSID80459476, OUWLZEOAVCFTAQ-UHFFFAOYSA-N, ZINC9970280, 4891AH, AKOS015958856, FCH1385518, AC-26882, DB-024829, FT-0737988, A26102, 10.14272/OUWLZEOAVCFTAQ-UHFFFAOYSA-N.1, doi:10.14272/OUWLZEOAVCFTAQ-UHFFFAOYSA-N.1, C11H12BrN, 5-bromo-2,3,3-trimethyl-indole, CID11230141,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.128g/mol
Monoisotopic Mass	237.015g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319
Precuationary statements	P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
Siginal words

Certificate of Analysis

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