AG005SB8

99465-09-5 | 5-Bromoquinolin-2(1H)-one

AG005SB8

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CAS Number	99465-09-5
Catalog Number	AG005SB8(AGN-PC-000R2C)
Chemical Name	5-Bromoquinolin-2(1H)-one
IUPAC Name	5-bromo-1H-quinolin-2-one
InChI	InChI=1S/C9H6BrNO/c10-7-2-1-3-8-6(7)4-5-9(12)11-8/h1-5H,(H,11,12)
InChI Key	XLNXYWXWOLFEOD-UHFFFAOYSA-N
MDL Number	MFCD11108678
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	O=C1NC2=C(C(Br)=CC=C2)C=C1
Synonyms	5-Bromoquinolin-2(1H)-one, 99465-09-5, 5-bromoquinolin-2-ol, 5-BROMO-1H-QUINOLIN-2-ONE, 2(1H)-Quinolinone, 5-bromo-, 5-Bromo-2-hydroxyquinoline, 5-bromo-1,2-dihydroquinolin-2-one, 5-bromocarbostyril, 5-bromo-quinolone, ACMC-20m2tm, 5,7-Brom-o-Oxychinolin, SCHEMBL709815, CTK3G7476, DTXSID50557559, XLNXYWXWOLFEOD-UHFFFAOYSA-N, 3165AJ, MFCD11108678, ZINC26474708, AKOS016012942, AKOS023554329, MB09288, AJ-82437, AK126282, AS-39018, SC-26971, SY016638, AB0078986, DB-080603, 4CH-022222, FT-0714706, MFCD11557206 (95%), Y-9405, Z2096659076, 2-Hydroxyquinoline, C9H6BrNO, 59-31-4, N/A,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.963g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.057g/mol
Monoisotopic Mass	222.963g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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