AG0034E2

58794-09-5 | 7-bromoisoquinoline

AG0034E2

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CAS Number	58794-09-5
Catalog Number	AG0034E2(AGN-PC-0NI9HY)
Chemical Name	7-bromoisoquinoline
IUPAC Name	7-bromoisoquinoline
InChI	InChI=1S/C9H6BrN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
InChI Key	KABRXLINDSPGDF-UHFFFAOYSA-N
MDL Number	MFCD07368661
Molecular Formula	C9H6BrN
Molecular Weight	208.0546
SMILES	BrC1=CC=C2C=CN=CC2=C1
Synonyms	7-Bromoisoquinoline, 58794-09-5, 7-Bromo-isoquinoline, ISOQUINOLINE, 7-BROMO-, MFCD07368661, PubChem12736, 7-Bromoisoquinoline, 97%, SCHEMBL692484, AC1Q251W, DTXSID80482729, KABRXLINDSPGDF-UHFFFAOYSA-N, ABBYPHARMA AP-30-0996, ACT01973, BCP26284, ANW-75042, BBL101848, STL555645, ZINC14982275, AKOS005255699, CB-1572, CS-W019889, FS-2227, PB34202, QC-9371, RP04660, RP26391, VQ10445, AJ-65617, AK-26157, AN-16477, BC003691, BC679497, BR-26157, CJ-14677, SC-24047, AB0025682, AB1007336, DB-007200, ST2412518, TC-062010, 4CH-013553, AM20061352, B5071, BB 0261827, FT-0082635, FT-0600080, W7179, KS-00000065, C-1772, 794B095, I14-0533, W-203208, Z1741969012, null, C9H6BrN, ACN-025141, A8302,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.968g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.058g/mol
Monoisotopic Mass	206.968g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	12.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number