AG00EABB

61995-52-6 | 1-Acetyl-5-bromoindole

AG00EABB

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CAS Number	61995-52-6
Catalog Number	AG00EABB(AGN-PC-0NIIPI)
Chemical Name	1-Acetyl-5-bromoindole
IUPAC Name	1-(5-bromoindol-1-yl)ethanone
InChI	InChI=1S/C10H8BrNO/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-6H,1H3
InChI Key	BOMKWHSZGCMFEG-UHFFFAOYSA-N
MDL Number	MFCD00238530
Molecular Formula	C10H8BrNO
Molecular Weight	238.0806
SMILES	CC(=O)N1C=CC2=C1C=CC(Br)=C2
Synonyms	1-Acetyl-5-bromoindole, 61995-52-6, 1-ACETYL-5-BROMO-1H-INDOLE, 1-(5-BROMOINDOL-1-YL)ETHANONE, 1-(5-bromo-1H-indol-1-yl)ethanone, MFCD00238530, 5-bromo-N-acetylindole, SCHEMBL12749675, KS-00003TOE, DTXSID60488007, ZINC2561204, ANW-59471, RW4068, SBB054563, AKOS015898582, FCH1331169, MCULE-4802791994, QC-3591, AJ-40687, TS-03333, 1-(5-bromo-1H-indol-1-yl)ethan-1-one, Ethanone, 1-(5-bromo-1H-indol-1-yl)-, AB0095521, AX8056210, DB-005663, TC-030584, CS-0060860, FT-0080597, FT-0650907, ST50949819, I10-0663, RW1489,

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

Certificate of Analysis

Lot Number