AG007UIM

106698-07-1 | 1-Acetyl-5-bromoindolin-3-one

AG007UIM

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CAS Number	106698-07-1
Catalog Number	AG007UIM(AGN-PC-0NWFTI)
Chemical Name	1-Acetyl-5-bromoindolin-3-one
IUPAC Name	1-acetyl-5-bromo-2H-indol-3-one
InChI	InChI=1S/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3
InChI Key	KXJGSNRAQWDDJT-UHFFFAOYSA-N
MDL Number	MFCD00463385
Molecular Formula	C10H8BrNO2
Molecular Weight	254.0800
SMILES	CC(=O)N1CC(=O)C2=CC(Br)=CC=C12
Synonyms	1-acetyl-5-bromoindolin-3-one, 106698-07-1, 1-acetyl-5-bromo-2H-indol-3-one, 1-ACETYL-5-BROMO-2,3-DIHYDRO-1H-INDOL-3-ONE, PubChem16271, ACMC-20ai3y, AC1LGDP5, SCHEMBL5712043, CTK0G3257, KXJGSNRAQWDDJT-UHFFFAOYSA-, 1-acetyl-5-bromo-indolin-3-one, DTXSID50355173, ZINC2517165, ANW-74396, MFCD00463385, AKOS015837725, CA-2115, FCH1323425, MCULE-2300146065, 1-Acetyl-5-bromo-1H-indol-3(2H)-one, AJ-37044, AN-33839, AS-49975, BC004090, AB0033055, AX8216971, DB-059500, TR-001334, BB 0260986, CS-0060861, FT-0682472, X6517, 698A071, SR-01000195496, 1-ACETYL-5-BROMO-1,2-DIHYDRO-INDOL-3-ONE, I10-0392, SR-01000195496-1, 1-ACETYL-5-BROMO-1,2-DIHYDRO-3H-INDOL-3-ONE, InChI=1/C10H8BrNO2/c1-6(13)12-5-10(14)8-4-7(11)2-3-9(8)12/h2-4H,5H2,1H3, C10H8BrNO2, CID793042, ZINC00294918, CB10375, A2040,

Complexity	279
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.974g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.083g/mol
Monoisotopic Mass	252.974g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	37.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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