AG008XQL

106103-36-0 | 6-Bromo-5-methoxy-1H-indole

AG008XQL

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CAS Number	106103-36-0
Catalog Number	AG008XQL(AGN-PC-001RGU)
Chemical Name	6-Bromo-5-methoxy-1H-indole
IUPAC Name	6-bromo-5-methoxy-1H-indole
InChI	InChI=1S/C9H8BrNO/c1-12-9-4-6-2-3-11-8(6)5-7(9)10/h2-5,11H,1H3
InChI Key	LYRDXFOLYOIABR-UHFFFAOYSA-N
MDL Number	MFCD11848542
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	COC1=CC2=C(NC=C2)C=C1Br
Synonyms	6-BROMO-5-METHOXY-1H-INDOLE, 106103-36-0, 6-Bromo-5-methoxyindole, 1H-Indole, 6-bromo-5-methoxy-, AK-61193, 6-Bromo-5-methoxy-indole, SCHEMBL2304604, CTK8C4904, DTXSID50561499, LYRDXFOLYOIABR-UHFFFAOYSA-N, ANW-73468, MFCD11848542, ZINC34317201, AKOS015909930, CB-4042, FCH1406769, QC-4163, AJ-87938, AS-40476, CJ-18296, OR350035, SC-36088, AB0059295, AX8217348, TC-162213, 4CH-003458, CS-0050261, FT-0765486, ST24024298, Q-9124, I14-31800, 6bromo5methoxy1Hindole,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.073g/mol
Monoisotopic Mass	224.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number