AG00ANXF

19419-09-1 | 3-bromo-4-hydroxycinnoline

AG00ANXF

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CAS Number	19419-09-1
Catalog Number	AG00ANXF(AGN-PC-0O6FSS)
Chemical Name	3-bromo-4-hydroxycinnoline
IUPAC Name	3-bromo-1H-cinnolin-4-one
InChI	InChI=1S/C8H5BrN2O/c9-8-7(12)5-3-1-2-4-6(5)10-11-8/h1-4H,(H,10,12)
InChI Key	TZRVSTXNTMEAGB-UHFFFAOYSA-N
MDL Number	MFCD20921550
Molecular Formula	C8H5BrN2O
Molecular Weight	225.0421
SMILES	OC1=C2C=CC=CC2=NN=C1Br
Synonyms	3-Bromocinnolin-4-ol, 19419-09-1, 3-Bromocinnolin-4(1H)-one, 3-broMo-4-Cinnolinol, 335242-55-2, 3-bromo-1H-cinnolin-4-one, 3-Bromo-4-hydroxycinnoline, 3-bromo-cinnolin-4-ol, SCHEMBL928001, 4(1H)-Cinnolinone, 3-bromo-, KS-00000RQA, TZRVSTXNTMEAGB-UHFFFAOYSA-N, 3-bromo-1,4-dihydrocinnolin-4-one, MFCD20921550, ZINC75772379, AKOS022172485, AKOS022172534, DS-5874, MCULE-9821972821, NE20794, QC-8627, RP27555, AK137688, AB0097390, AJ-121914, ST2401848, 4CH-019633, CS-0041953, Z-9221, Z-9222, Z1695922867, ACN-046723,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.045g/mol
Monoisotopic Mass	223.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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