AG003NHR

57798-00-2 | 8-Bromoquinoline-4-ol

AG003NHR

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CAS Number	57798-00-2
Catalog Number	AG003NHR(AGN-PC-0OCM73)
Chemical Name	8-Bromoquinoline-4-ol
IUPAC Name	8-bromo-1H-quinolin-4-one
InChI	InChI=1S/C9H6BrNO/c10-7-3-1-2-6-8(12)4-5-11-9(6)7/h1-5H,(H,11,12)
InChI Key	HLALMUWUZUGIGR-UHFFFAOYSA-N
MDL Number	MFCD00272389
Molecular Formula	C9H6BrNO
Molecular Weight	224.0540
SMILES	OC1=CC=NC2=C(Br)C=CC=C12
Synonyms	57798-00-2, 8-Bromo-4-quinolinol, 8-Bromo-4-hydroxyquinoline, 8-Bromoquinoline-4-ol, 8-Bromoquinolin-4(1H)-one, 8-bromoquinolin-4-ol, 949507-29-3, 8-bromo-1,4-dihydroquinolin-4-one, 8-Bromo-quinolin-4-ol, 4-Quinolinol, 8-bromo-, 4-Hydroxy-8-bromoquinoline, 8-Bromo-1H-quinolin-4-one, MFCD00272389, PubChem18682, ACMC-209m0h, AC1Q24IF, KSC269G0B, SCHEMBL4208511, SCHEMBL15367385, CTK1G9300, CTK5I8621, HLALMUWUZUGIGR-UHFFFAOYSA-N, QU050, ACT10552, BUTTPARK 100\01-51, ZINC2564332, ABBYPHARMA AP-13-10736, ANW-32799, ANW-61499, CH-451, AKOS002326829, AKOS009581024, AB05650, CS-W013079, MCULE-9236055075, PS-7795, QC-8459, RP27504, RTR-020149, TRA0099628, 8-Bromo-4-hydroxyquinoline, AldrichCPR, AC-24339, AJ-41018, AK-39443, AN-39856, BC004401, CJ-09672, EN001746, SC-28671, SY007178, AB0020664, DB-072375, TR-020149, BB 0222316, FT-0763969, ST50812042, V1635, EN300-65179, M-1916, Z-8025, Z-8154, MFCD00272389 (97+%), 798B002, I08-0487, J-519410, J-650165, Z1245635847, C9H6BrNO, ACN-S004867, 103831-11-4,

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	2
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	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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