AG006UBK

152265-57-1 | 7-Bromophthalazin-1(2H)-one

AG006UBK

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CAS Number	152265-57-1
Catalog Number	AG006UBK(AGN-PC-0Q6AOT)
Chemical Name	7-Bromophthalazin-1(2H)-one
IUPAC Name	7-bromo-2H-phthalazin-1-one
InChI	InChI=1S/C8H5BrN2O/c9-6-2-1-5-4-10-11-8(12)7(5)3-6/h1-4H,(H,11,12)
InChI Key	GGWROXJIYDRIMU-UHFFFAOYSA-N
MDL Number	MFCD11518962
Molecular Formula	C8H5BrN2O
Molecular Weight	225.0421
SMILES	BrC1=CC=C2C=NNC(=O)C2=C1
Synonyms	7-BROMOPHTHALAZIN-1(2H)-ONE, 152265-57-1, 7-bromo-2H-phthalazin-1-one, 7-Bromo-phthalazin-1-ol, 1(2H)-Phthalazinone,7-bromo-, AK-50801, 1(2H)-Phthalazinone, 7-bromo-, 7-bromophthalazinone, ACMC-20adzl, PubChem14642, 7-bromophthalazin-1-ol, SCHEMBL392303, 7-bromo-1 (2H)-phthalazinone, 7-bromanyl-2H-phthalazin-1-one, CTK4C7383, DTXSID30624056, GGWROXJIYDRIMU-UHFFFAOYSA-N, KS-00000HF1, 7-bromo-1-hydroxy-3-azaisoquinoline, ANW-69055, MFCD11518962, ZINC35270042, 7-bromo-1,2-dihydrophthalazin-1-one, AKOS015909390, CB-2706, FCH3708647, MCULE-8525716859, NE63901, NE64238, RP27493, AJ-91018, DS-15550, AX8158390, FT-0645840, A809281, J-519171, I14-32933, Phthalazin-1(2H)-one,

Complexity	229
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	2
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	1.4

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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