AG0075AV

393553-55-4 | 4-Bromo-6-methoxy-1H-indole

AG0075AV

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CAS Number	393553-55-4
Catalog Number	AG0075AV(AGN-PC-04Q54X)
Chemical Name	4-Bromo-6-methoxy-1H-indole
IUPAC Name	4-bromo-6-methoxy-1H-indole
InChI	InChI=1S/C9H8BrNO/c1-12-6-4-8(10)7-2-3-11-9(7)5-6/h2-5,11H,1H3
InChI Key	CZJYKEPYJHPVOD-UHFFFAOYSA-N
MDL Number	MFCD03095207
Molecular Formula	C9H8BrNO
Molecular Weight	226.0699
SMILES	COC1=CC2=C(C(Br)=C1)C=CN2
Synonyms	4-bromo-6-methoxy-1H-indole, 393553-55-4, 4-Bromo-6-methoxyindole, AK109107, 4-Bromo-6-benzyloxyindole, 4-Bromo-6-methoxy indole, 4-Bromo-6-methoxy-indole, SCHEMBL2214501, 1H-Indole,4-bromo-6-methoxy-, CTK4I1286, DTXSID70646111, CZJYKEPYJHPVOD-UHFFFAOYSA-N, KS-000005WA, ZINC2384056, 5147AB, ANW-73056, MFCD03095207, AKOS015960566, AB13576, CS-W022112, DS-4151, FCH1334764, AC-11489, ACM393553554, AJ-35020, QC-10480, SC-12820, AB0080994, AX8095142, DB-069803, TX-016955, FT-0714761, A18725, W-2662, C9H8BrNO, 1H-Indole, 4-bromo-6-methoxy-, ACN-048654,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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