AG003DWG

66417-73-0 | 1-Acetyl-3-bromoindole

AG003DWG

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CAS Number	66417-73-0
Catalog Number	AG003DWG(AGN-PC-08YR1Y)
Chemical Name	1-Acetyl-3-bromoindole
IUPAC Name	1-(3-bromoindol-1-yl)ethanone
InChI	InChI=1S/C10H8BrNO/c1-7(13)12-6-9(11)8-4-2-3-5-10(8)12/h2-6H,1H3
InChI Key	AYFPZXVRXRMCQX-UHFFFAOYSA-N
MDL Number	MFCD00159880
Molecular Formula	C10H8BrNO
Molecular Weight	238.0806
SMILES	BrC1=CN(C(C)=O)C2=C1C=CC=C2
Synonyms	1-Acetyl-3-bromoindole, 66417-73-0, 1H-Indole, 1-acetyl-3-bromo-, 1-(3-Bromo-1H-indol-1-yl)ethan-1-one, 1-(3-bromo-1H-indol-1-yl)Ethanone, CTK1J4772, KS-00000DIH, DTXSID00679659, 5043AJ, MFCD00159880, ZINC48546937, AKOS025394165, FCH1613832, GS-5481, TRA0162829, AK209689, DA-19057, SY019754, TC-306637, CS-0041651, FT-0734045, MFCD00159880 (97%), C10H8BrNO, 114790-39-5,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	236.979g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	238.084g/mol
Monoisotopic Mass	236.979g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	22A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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