AG00DGDA

53987-60-3 | 1,3-Dibromoisoquinoline

AG00DGDA

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CAS Number	53987-60-3
Catalog Number	AG00DGDA(AGN-PC-0JU7K7)
Chemical Name	1,3-Dibromoisoquinoline
IUPAC Name	1,3-dibromoisoquinoline
InChI	InChI=1S/C9H5Br2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H
InChI Key	JXDSEHLVLUASEI-UHFFFAOYSA-N
MDL Number	MFCD00234474
Molecular Formula	C9H5Br2N
Molecular Weight	286.9507
SMILES	BrC1=NC(=CC2=CC=CC=C12)Br
Synonyms	1,3-dibromoisoquinoline, 53987-60-3, isoquinoline, 1,3-dibromo-, AK-24473, AC-907/25004852, J-503887, dibromoisoquinoline, AC1LD1W8, SCHEMBL901849, CTK5I6525, DTXSID60348839, JXDSEHLVLUASEI-UHFFFAOYSA-N, ZINC331133, BCP26278, KS-00000HE4, ZX-AV000447, ANW-74982, MFCD00234474, AKOS015835846, bromwasserstoffsaure Monobromisochinolin, CS-W021278, FCH1331109, RP29953, AC-28580, AJ-19401, AS-18403, BR-24473, CJ-02779, SC-33104, AB0025376, AX8158228, DB-071766, ST2408450, TR-019079, 4CH-007934, AM20061296, FT-0648619, W6829, S-6233, InChI=1/C9H5Br2N/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5, C9H5Br2N, CID640976, ZINC00331133,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	286.877g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	286.954g/mol
Monoisotopic Mass	284.879g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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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